2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide

C19H36N4O — CID 25373995

IUPAC2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)CN3CCCCCC3)C2)CC1
InChIInChI=1S/C19H36N4O/c1-21-13-8-18(9-14-21)23-12-6-7-17(15-23)20-19(24)16-22-10-4-2-3-5-11-22/h17-18H,2-16H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyZLWPGZQQAYONAZ-KRWDZBQOSA-N
MW336.52 g/mol
LogP1.54
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide

2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 25373995) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
PubChem CID25373995
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)CN3CCCCCC3)C2)CC1
InChIInChI=1S/C19H36N4O/c1-21-13-8-18(9-14-21)23-12-6-7-17(15-23)20-19(24)16-22-10-4-2-3-5-11-22/h17-18H,2-16H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyZLWPGZQQAYONAZ-KRWDZBQOSA-N
XLogP1.54
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide 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

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide (CID 25373995) is 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide is CN1CCC(N2CCC[C@H](NC(=O)CN3CCCCCC3)C2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is ZLWPGZQQAYONAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H36N4O/c1-21-13-8-18(9-14-21)23-12-6-7-17(15-23)20-19(24)16-22-10-4-2-3-5-11-22/h17-18H,2-16H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 336.52 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 25373995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).