(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide

C20H23N3O3 — CID 97274473

IUPAC(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)N3CCC[C@H](C(N)=O)C3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-18-6-2-4-15(12-18)14-7-9-17(10-8-14)22-20(25)23-11-3-5-16(13-23)19(21)24/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyLGGTWOHFODBCLV-INIZCTEOSA-N
MW353.42 g/mol
LogP3.09
Rot. Bonds4

About (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 97274473) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID97274473
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)N3CCC[C@H](C(N)=O)C3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-18-6-2-4-15(12-18)14-7-9-17(10-8-14)22-20(25)23-11-3-5-16(13-23)19(21)24/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyLGGTWOHFODBCLV-INIZCTEOSA-N
XLogP3.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(2S)-1-N-[4-(3-methoxyphenyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97452585
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide (CID 97274473) is (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide is COc1cccc(-c2ccc(NC(=O)N3CCC[C@H](C(N)=O)C3)cc2)c1.
What is the InChIKey of (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is LGGTWOHFODBCLV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-6-2-4-15(12-18)14-7-9-17(10-8-14)22-20(25)23-11-3-5-16(13-23)19(21)24/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H2,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97274473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).