(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide

C23H28N2O — CID 98754943

IUPAC(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O/c26-23(24-15-18-11-12-18)21-13-14-22(20-9-5-2-6-10-20)25(17-21)16-19-7-3-1-4-8-19/h1-10,18,21-22H,11-17H2,(H,24,26)/t21-,22-/m0/s1
InChIKeyYMOSAYYMOZAAQK-VXKWHMMOSA-N
MW348.49 g/mol
LogP4.17
Rot. Bonds6

About (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide

(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 98754943) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
PubChem CID98754943
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C23H28N2O/c26-23(24-15-18-11-12-18)21-13-14-22(20-9-5-2-6-10-20)25(17-21)16-19-7-3-1-4-8-19/h1-10,18,21-22H,11-17H2,(H,24,26)/t21-,22-/m0/s1
InChIKeyYMOSAYYMOZAAQK-VXKWHMMOSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 42868602
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
(3S,6R)-1-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92984856
1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 42849765
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849671
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
1-benzyl-N-(cyclopropylmethyl)-2-oxoimidazolidine-4-carboxamide
CID 134795001

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide (CID 98754943) is (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide is O=C(NCC1CC1)[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is YMOSAYYMOZAAQK-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23(24-15-18-11-12-18)21-13-14-22(20-9-5-2-6-10-20)25(17-21)16-19-7-3-1-4-8-19/h1-10,18,21-22H,11-17H2,(H,24,26)/t21-,22-/m0/s1.
What are the key properties of (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide?
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 98754943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).