2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide

C24H31N3O2 — CID 55841833

IUPAC2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
SMILESCC(=O)NCC1CCN(C(C)C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18(27-15-13-20(14-16-27)17-25-19(2)28)24(29)26-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,18,20,23H,13-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPMRQSFPAGKKQDN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide

2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide (PubChem CID 55841833) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
PubChem CID55841833
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
SMILESCC(=O)NCC1CCN(C(C)C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18(27-15-13-20(14-16-27)17-25-19(2)28)24(29)26-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,18,20,23H,13-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPMRQSFPAGKKQDN-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
(2S)-N-benzhydryl-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 30625205
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
CID 30622027

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide?
The IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide (CID 55841833) is 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide?
The canonical SMILES for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide is CC(=O)NCC1CCN(C(C)C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide?
The InChIKey is PMRQSFPAGKKQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(27-15-13-20(14-16-27)17-25-19(2)28)24(29)26-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,18,20,23H,13-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide?
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide is sourced from PubChem (CID 55841833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).