1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C35H67N5O5 — CID 158750317

IUPAC1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCCC1.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO.C8H16N2O.C8H15NO2/c1-9(2)10(12)11-7-5-3-4-6-8-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyINJXMCCZJGIAHW-UHFFFAOYSA-N
MW637.95 g/mol
LogP4.28
Rot. Bonds4

About 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 158750317) has the molecular formula C35H67N5O5 and a molecular weight of 637.95 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID158750317
Molecular FormulaC35H67N5O5
Molecular Weight637.95 g/mol
Exact Mass637.51
IUPAC Name1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCCC1.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO.C8H16N2O.C8H15NO2/c1-9(2)10(12)11-7-5-3-4-6-8-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyINJXMCCZJGIAHW-UHFFFAOYSA-N
XLogP4.28
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 141468226
2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
CID 141468260
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N-methylpropanamide;N-(3-aminopropyl)propanamide;1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]propanamide;N,3-dimethylbutanamide;ethane;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N-methylpropanamide;N-(2-methoxyethyl)propanamide;N-[3-(methylamino)propyl]propanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;N-methyl-N-[2-(methylamino)ethyl]propanamide;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one;N-piperidin-4-ylpropanamide;1-piperidin-1-ylpropan-1-one
CID 157229740
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 157393013
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 158842354
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159299365
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one
CID 159895882
1-(Azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 161850014
1-(1,4-diazepan-1-yl)-4-methylpentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-N-piperidin-4-ylpentanamide
CID 161953065
N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide
CID 163783654
N,2-dimethylpropanamide;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;N,N,2-trimethylpropanamide
CID 164164849
3-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982439

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 158750317) is 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCCC1.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is INJXMCCZJGIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H17NO.C8H16N2O.C8H15NO2/c1-9(2)10(12)11-7-5-3-4-6-8-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 637.95 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 158750317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).