N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C20H21ClN2O3 — CID 4604409

IUPACN-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-7-2-4-15(12-18)20(25)23-10-8-14(9-11-23)19(24)22-17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeyKEYQNVHJIODANB-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.84
Rot. Bonds4

About N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 4604409) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID4604409
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-7-2-4-15(12-18)20(25)23-10-8-14(9-11-23)19(24)22-17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeyKEYQNVHJIODANB-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
3'-Chloro-4-methoxybenzanilide
CID 346039
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
1-(3-Chlorophenyl)-4-(4-ethoxybenzoyl)piperazine
CID 597213
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
3-methoxy-N-phenylbenzamide
CID 835330
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
1-(5-Chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine
CID 1010103

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 4604409) is N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is KEYQNVHJIODANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-7-2-4-15(12-18)20(25)23-10-8-14(9-11-23)19(24)22-17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 4604409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).