(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide

C22H25ClN2O — CID 93000723

IUPAC(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C22H25ClN2O/c1-2-13-24-22(26)19-11-12-21(18-8-4-3-5-9-18)25(16-19)15-17-7-6-10-20(23)14-17/h2-10,14,19,21H,1,11-13,15-16H2,(H,24,26)/t19-,21+/m1/s1
InChIKeyRCIVQIMQNVDILX-CTNGQTDRSA-N
MW368.91 g/mol
LogP4.60
Rot. Bonds6

About (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide

(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 93000723) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID93000723
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C22H25ClN2O/c1-2-13-24-22(26)19-11-12-21(18-8-4-3-5-9-18)25(16-19)15-17-7-6-10-20(23)14-17/h2-10,14,19,21H,1,11-13,15-16H2,(H,24,26)/t19-,21+/m1/s1
InChIKeyRCIVQIMQNVDILX-CTNGQTDRSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
ethyl (3R)-1-[(3R,6R)-1-[(3-chlorophenyl)methyl]-6-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 93000733
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849671
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 129426509

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide (CID 93000723) is (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1.
What is the InChIKey of (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is RCIVQIMQNVDILX-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-2-13-24-22(26)19-11-12-21(18-8-4-3-5-9-18)25(16-19)15-17-7-6-10-20(23)14-17/h2-10,14,19,21H,1,11-13,15-16H2,(H,24,26)/t19-,21+/m1/s1.
What are the key properties of (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide?
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 368.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 93000723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).