(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide

C21H26N2O2 — CID 96541051

IUPAC(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-25-16-18-10-7-13-23(15-18)21(24)22-20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyNSHFJLMUQVJGHC-SFHVURJKSA-N
MW338.45 g/mol
LogP4.17
Rot. Bonds5

About (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide

(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 96541051) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID96541051
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-25-16-18-10-7-13-23(15-18)21(24)22-20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyNSHFJLMUQVJGHC-SFHVURJKSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(4aS,8aR)-N-(2-benzylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95284375
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide
CID 154859060
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide (CID 96541051) is (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide is COC[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is NSHFJLMUQVJGHC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-16-18-10-7-13-23(15-18)21(24)22-20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide?
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96541051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).