4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide

C22H29N3O2 — CID 95127154

IUPAC4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(C[C@H](C)NC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-17(15-18-7-6-10-21(16-18)27-2)23-20-11-13-25(14-12-20)22(26)24-19-8-4-3-5-9-19/h3-10,16-17,20,23H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyLGXFAEKMBNRDEM-KRWDZBQOSA-N
MW367.49 g/mol
LogP3.91
Rot. Bonds6

About 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide

4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 95127154) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID95127154
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(C[C@H](C)NC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-17(15-18-7-6-10-21(16-18)27-2)23-20-11-13-25(14-12-20)22(26)24-19-8-4-3-5-9-19/h3-10,16-17,20,23H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyLGXFAEKMBNRDEM-KRWDZBQOSA-N
XLogP3.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 95127122
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
CID 86953536
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
7-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(3-methoxyphenyl)-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 163161901

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 95127154) is 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide is COc1cccc(C[C@H](C)NC2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is LGXFAEKMBNRDEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(15-18-7-6-10-21(16-18)27-2)23-20-11-13-25(14-12-20)22(26)24-19-8-4-3-5-9-19/h3-10,16-17,20,23H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95127154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).