2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

C17H33N3O — CID 95337344

IUPAC2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC[C@H](N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(2)18(3)17(21)14-19-10-8-9-16(13-19)20-11-6-4-5-7-12-20/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyOGMWDDQIKOUMCC-INIZCTEOSA-N
MW295.47 g/mol
LogP2.19
Rot. Bonds4

About 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 95337344) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID95337344
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCC[C@H](N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(2)18(3)17(21)14-19-10-8-9-16(13-19)20-11-6-4-5-7-12-20/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyOGMWDDQIKOUMCC-INIZCTEOSA-N
XLogP2.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Acetyl-3-methyl-3,8-diazabicyclo(3.2.1)octane
CID 45835
1-(1-Acetyl-4-piperidinyl)azepane
CID 24157589
1-(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 124186709
1-(Azepan-1-yl)-2-(piperazin-1-yl)propan-1-one
CID 13345094
2-[Cyclohexyl(methyl)amino]-1-piperidin-1-ylethanone
CID 45841231
3-Cyclohexyl-7-methylhexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione
CID 334621
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
CID 421129
N,N-dimethyl-2-(2-methylpiperidin-1-yl)acetamide
CID 47006696
2-(azepan-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 53537273
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 53548501
1-(4-methylpiperazin-1-yl)-2-[(3S)-3-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 97803391
2,2-Dimethyl-1-[3-(4-methylpiperazin-1-yl)azepan-1-yl]propan-1-one
CID 121528585

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 95337344) is 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCC[C@H](N2CCCCCC2)C1.
What is the InChIKey of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OGMWDDQIKOUMCC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)18(3)17(21)14-19-10-8-9-16(13-19)20-11-6-4-5-7-12-20/h15-16H,4-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 95337344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).