4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

C14H19ClN4O2 — CID 115930358

IUPAC4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C14H19ClN4O2/c1-17(2)14(21)19-8-6-18(7-9-19)13(20)10-4-3-5-11(16)12(10)15/h3-5H,6-9,16H2,1-2H3
InChIKeyUKZSLTCPYAGIAV-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.36
Rot. Bonds1

About 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 115930358) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID115930358
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C14H19ClN4O2/c1-17(2)14(21)19-8-6-18(7-9-19)13(20)10-4-3-5-11(16)12(10)15/h3-5H,6-9,16H2,1-2H3
InChIKeyUKZSLTCPYAGIAV-UHFFFAOYSA-N
XLogP1.36
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 61108425
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
CID 108569403
(3-amino-2-chlorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210160
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
CID 112576024
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (CID 115930358) is 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cccc(N)c2Cl)CC1.
What is the InChIKey of 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is UKZSLTCPYAGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-17(2)14(21)19-8-6-18(7-9-19)13(20)10-4-3-5-11(16)12(10)15/h3-5H,6-9,16H2,1-2H3.
What are the key properties of 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 115930358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).