1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C39H73N5O4 — CID 159484961

IUPAC1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCC[C@@H](C)C1.CC(C)C(=O)N1CCC[C@H](C)C1.CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O.2C10H19NO.C9H17NO/c1-7(2)10(13)12-5-8-3-4-9(6-12)11-8;2*1-8(2)10(12)11-6-4-5-9(3)7-11;1-8(2)9(11)10-6-4-3-5-7-10/h7-9,11H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3/t8-,9+;2*9-;/m.10./s1
InChIKeyLXLUHBCQVVUFAO-KBCABCMESA-N
MW676.04 g/mol
LogP6.06
Rot. Bonds4

About 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 159484961) has the molecular formula C39H73N5O4 and a molecular weight of 676.04 g/mol. Its IUPAC name is 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID159484961
Molecular FormulaC39H73N5O4
Molecular Weight676.04 g/mol
Exact Mass675.57
IUPAC Name1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCC[C@@H](C)C1.CC(C)C(=O)N1CCC[C@H](C)C1.CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O.2C10H19NO.C9H17NO/c1-7(2)10(13)12-5-8-3-4-9(6-12)11-8;2*1-8(2)10(12)11-6-4-5-9(3)7-11;1-8(2)9(11)10-6-4-3-5-7-10/h7-9,11H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3/t8-,9+;2*9-;/m.10./s1
InChIKeyLXLUHBCQVVUFAO-KBCABCMESA-N
XLogP6.06
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.04
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 158649479
methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 159797087
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
CID 159799361
methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 160715290
N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 161284258

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 159484961) is 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCC[C@@H](C)C1.CC(C)C(=O)N1CCC[C@H](C)C1.CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is LXLUHBCQVVUFAO-KBCABCMESA-N. The full InChI is InChI=1S/C10H18N2O.2C10H19NO.C9H17NO/c1-7(2)10(13)12-5-8-3-4-9(6-12)11-8;2*1-8(2)10(12)11-6-4-5-9(3)7-11;1-8(2)9(11)10-6-4-3-5-7-10/h7-9,11H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3/t8-,9+;2*9-;/m.10./s1.
What are the key properties of 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 676.04 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 159484961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).