(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide

C17H24N2O3 — CID 97197580

IUPAC(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCCOCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-14(20)19-10-5-8-16(12-19)17(21)18-9-11-22-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyPJPYGWDKLZOJTC-MRXNPFEDSA-N
MW304.39 g/mol
LogP1.58
Rot. Bonds6

About (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide

(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide (PubChem CID 97197580) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
PubChem CID97197580
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCCOCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-14(20)19-10-5-8-16(12-19)17(21)18-9-11-22-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyPJPYGWDKLZOJTC-MRXNPFEDSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
CID 9274909
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
(3R)-1-acetyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 97195010
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide (CID 97197580) is (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)NCCOCc2ccccc2)C1.
What is the InChIKey of (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide?
The InChIKey is PJPYGWDKLZOJTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14(20)19-10-5-8-16(12-19)17(21)18-9-11-22-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide?
(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.58, 6 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-phenylmethoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).