N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide

C19H23ClN4O2 — CID 110812798

IUPACN-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1C
InChIInChI=1S/C19H23ClN4O2/c1-13-12-17(14(2)22(13)3)18(25)23-8-10-24(11-9-23)19(26)21-16-6-4-15(20)5-7-16/h4-7,12H,8-11H2,1-3H3,(H,21,26)
InChIKeyDMPCDKYCNSTLQF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.29
Rot. Bonds2

About N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide (PubChem CID 110812798) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
PubChem CID110812798
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1C
InChIInChI=1S/C19H23ClN4O2/c1-13-12-17(14(2)22(13)3)18(25)23-8-10-24(11-9-23)19(26)21-16-6-4-15(20)5-7-16/h4-7,12H,8-11H2,1-3H3,(H,21,26)
InChIKeyDMPCDKYCNSTLQF-UHFFFAOYSA-N
XLogP3.29
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
N-(4-chlorophenyl)-4-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42789101
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815315
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 75370481
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110658667
4-[2-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 110658943

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide (CID 110812798) is N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1C.
What is the InChIKey of N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is DMPCDKYCNSTLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-12-17(14(2)22(13)3)18(25)23-8-10-24(11-9-23)19(26)21-16-6-4-15(20)5-7-16/h4-7,12H,8-11H2,1-3H3,(H,21,26).
What are the key properties of N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).