(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide

C20H23N3O2 — CID 158476039

IUPAC(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC(=NOCc2ccccc2)CN1
InChIInChI=1S/C20H23N3O2/c24-20(22-13-16-7-3-1-4-8-16)19-12-11-18(14-21-19)23-25-15-17-9-5-2-6-10-17/h1-10,19,21H,11-15H2,(H,22,24)/t19-/m0/s1
InChIKeyOGXSKNYSDWLYEG-IBGZPJMESA-N
MW337.42 g/mol
LogP2.63
Rot. Bonds6

About (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide

(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide (PubChem CID 158476039) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide
PubChem CID158476039
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC(=NOCc2ccccc2)CN1
InChIInChI=1S/C20H23N3O2/c24-20(22-13-16-7-3-1-4-8-16)19-12-11-18(14-21-19)23-25-15-17-9-5-2-6-10-17/h1-10,19,21H,11-15H2,(H,22,24)/t19-/m0/s1
InChIKeyOGXSKNYSDWLYEG-IBGZPJMESA-N
XLogP2.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5Z)-5-phenylmethoxyiminopiperidine-2-carboxylic acid
CID 154721713
[3-[3-(hydroxymethyl)phenyl]phenyl]methyl (2S,5Z)-5-phenylmethoxyiminopiperidine-2-carboxylate
CID 145375410
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 75469236
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
5-(benzylcarbamoyl)pyrrolidine-3-sulfinic acid
CID 170243895
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide (CID 158476039) is (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCC(=NOCc2ccccc2)CN1.
What is the InChIKey of (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide?
The InChIKey is OGXSKNYSDWLYEG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(22-13-16-7-3-1-4-8-16)19-12-11-18(14-21-19)23-25-15-17-9-5-2-6-10-17/h1-10,19,21H,11-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide?
(2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-5-phenylmethoxyiminopiperidine-2-carboxamide is sourced from PubChem (CID 158476039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).