3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide

C18H27N3O2 — CID 96523044

IUPAC3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCC(=O)N(CCC(=O)N[C@H]1CCCN(C)C1)Cc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-15(22)21(13-16-7-4-3-5-8-16)12-10-18(23)19-17-9-6-11-20(2)14-17/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyQZIXYEDVWIWEIS-KRWDZBQOSA-N
MW317.43 g/mol
LogP1.64
Rot. Bonds6

About 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide

3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide (PubChem CID 96523044) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
PubChem CID96523044
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCC(=O)N(CCC(=O)N[C@H]1CCCN(C)C1)Cc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-15(22)21(13-16-7-4-3-5-8-16)12-10-18(23)19-17-9-6-11-20(2)14-17/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyQZIXYEDVWIWEIS-KRWDZBQOSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 96523023
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[acetyl(benzyl)amino]propanamide
CID 99845883
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
CID 95289837
4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
CID 56800513
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide (CID 96523044) is 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide is CC(=O)N(CCC(=O)N[C@H]1CCCN(C)C1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is QZIXYEDVWIWEIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(22)21(13-16-7-4-3-5-8-16)12-10-18(23)19-17-9-6-11-20(2)14-17/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,19,23)/t17-/m0/s1.
What are the key properties of 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide?
3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[(3S)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 96523044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).