N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide

C20H23ClN4O2 — CID 110365168

IUPACN-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H23ClN4O2/c1-23(2)18-8-3-5-15(13-18)19(26)24-9-11-25(12-10-24)20(27)22-17-7-4-6-16(21)14-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)
InChIKeyWCLPINKNHZNNJX-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.40
Rot. Bonds3

About N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide (PubChem CID 110365168) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide
PubChem CID110365168
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H23ClN4O2/c1-23(2)18-8-3-5-15(13-18)19(26)24-9-11-25(12-10-24)20(27)22-17-7-4-6-16(21)14-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)
InChIKeyWCLPINKNHZNNJX-UHFFFAOYSA-N
XLogP3.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
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CID 69092727
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
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N-(3-chlorophenyl)-4-[6-(dimethylamino)pyridazine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 56511444
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(3-chlorophenyl)-4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813582
4-(3-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91319838
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 7408927
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide (CID 110365168) is N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide is CN(C)c1cccc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide?
The InChIKey is WCLPINKNHZNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-23(2)18-8-3-5-15(13-18)19(26)24-9-11-25(12-10-24)20(27)22-17-7-4-6-16(21)14-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,27).
What are the key properties of N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[3-(dimethylamino)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110365168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).