(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide

C20H24N2O2 — CID 93223987

IUPAC(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CO[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-9-11-17(12-10-16)15-24-19-8-5-13-22(14-19)20(23)21-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyFLBYSLRYZPRKRD-IBGZPJMESA-N
MW324.42 g/mol
LogP4.21
Rot. Bonds4

About (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide

(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 93223987) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
PubChem CID93223987
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CO[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-9-11-17(12-10-16)15-24-19-8-5-13-22(14-19)20(23)21-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyFLBYSLRYZPRKRD-IBGZPJMESA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 93224012
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 118764730

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide (CID 93223987) is (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide is Cc1ccc(CO[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is FLBYSLRYZPRKRD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-9-11-17(12-10-16)15-24-19-8-5-13-22(14-19)20(23)21-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 93223987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).