N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C21H28N4O — CID 17149102

IUPACN-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-2-3-5-18-7-9-20(10-8-18)23-21(26)25-14-12-24(13-15-25)17-19-6-4-11-22-16-19/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,23,26)
InChIKeyVFELIVNBNLIUJP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.77
Rot. Bonds6

About N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 17149102) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID17149102
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-2-3-5-18-7-9-20(10-8-18)23-21(26)25-14-12-24(13-15-25)17-19-6-4-11-22-16-19/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,23,26)
InChIKeyVFELIVNBNLIUJP-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 17149102) is N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VFELIVNBNLIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-3-5-18-7-9-20(10-8-18)23-21(26)25-14-12-24(13-15-25)17-19-6-4-11-22-16-19/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,23,26).
What are the key properties of N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17149102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).