N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C20H25ClN4O — CID 10126339

IUPACN-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C20H25ClN4O/c1-3-15(2)16-6-8-17(9-7-16)23-20(26)25-13-11-24(12-14-25)19-18(21)5-4-10-22-19/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJLORNYFSIRZGRX-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.60
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 10126339) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID10126339
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C20H25ClN4O/c1-3-15(2)16-6-8-17(9-7-16)23-20(26)25-13-11-24(12-14-25)19-18(21)5-4-10-22-19/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJLORNYFSIRZGRX-UHFFFAOYSA-N
XLogP4.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9929425
CID 9929425
CID 25224408
CID 25224408
CID 3001133
CID 3001133
CID 5330369
CID 5330369
CID 5330389
CID 5330389
CID 11496213
CID 11496213
CID 11568725
CID 11568725
CID 24857903
CID 24857903
CID 836690
CID 836690
CID 2741741
CID 2741741
CID 25294
CID 25294
CID 790715
CID 790715

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 10126339) is N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is CCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is JLORNYFSIRZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-3-15(2)16-6-8-17(9-7-16)23-20(26)25-13-11-24(12-14-25)19-18(21)5-4-10-22-19/h4-10,15H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 10126339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).