(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C20H29N3O2 — CID 94434549

IUPAC(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-12-6-9-19(15-23)20(25)21-13-17-7-2-3-8-18(17)14-22-10-4-5-11-22/h2-3,7-8,19H,4-6,9-15H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyOFWMTAZROZUYFN-LJQANCHMSA-N
MW343.47 g/mol
LogP2.16
Rot. Bonds5

About (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 94434549) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID94434549
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-12-6-9-19(15-23)20(25)21-13-17-7-2-3-8-18(17)14-22-10-4-5-11-22/h2-3,7-8,19H,4-6,9-15H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyOFWMTAZROZUYFN-LJQANCHMSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
(3R)-1-(benzenesulfonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 38741196
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 94434549) is (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OFWMTAZROZUYFN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(24)23-12-6-9-19(15-23)20(25)21-13-17-7-2-3-8-18(17)14-22-10-4-5-11-22/h2-3,7-8,19H,4-6,9-15H2,1H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94434549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).