1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide

C18H20ClN5O2 — CID 167975602

IUPAC1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
SMILESCc1ncccc1NC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-13-16(6-3-7-20-13)22-18(26)24-10-8-23(9-11-24)17(25)21-15-5-2-4-14(19)12-15/h2-7,12H,8-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyGCRQSYPSRDPTOT-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.43
Rot. Bonds2

About 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide

1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide (PubChem CID 167975602) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
PubChem CID167975602
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
SMILESCc1ncccc1NC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-13-16(6-3-7-20-13)22-18(26)24-10-8-23(9-11-24)17(25)21-15-5-2-4-14(19)12-15/h2-7,12H,8-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyGCRQSYPSRDPTOT-UHFFFAOYSA-N
XLogP3.43
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide (CID 167975602) is 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide is Cc1ncccc1NC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide?
The InChIKey is GCRQSYPSRDPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-13-16(6-3-7-20-13)22-18(26)24-10-8-23(9-11-24)17(25)21-15-5-2-4-14(19)12-15/h2-7,12H,8-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide?
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 167975602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).