(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide

C24H31N3O3 — CID 51927756

IUPAC(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(23(28)25-15-14-19-10-12-22(30-2)13-11-19)27-16-6-7-20(17-27)24(29)26-21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,25,28)(H,26,29)/t18-,20-/m0/s1
InChIKeyZATLQMOVZNBWCC-ICSRJNTNSA-N
MW409.53 g/mol
LogP3.09
Rot. Bonds8

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

(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (PubChem CID 51927756) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
PubChem CID51927756
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(23(28)25-15-14-19-10-12-22(30-2)13-11-19)27-16-6-7-20(17-27)24(29)26-21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,25,28)(H,26,29)/t18-,20-/m0/s1
InChIKeyZATLQMOVZNBWCC-ICSRJNTNSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51927758
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
1-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46687552
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
N-(4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916521

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide (CID 51927756) is (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is ZATLQMOVZNBWCC-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(23(28)25-15-14-19-10-12-22(30-2)13-11-19)27-16-6-7-20(17-27)24(29)26-21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,25,28)(H,26,29)/t18-,20-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51927756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).