N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C20H26N4O — CID 17149206

IUPACN-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16(2)18-5-7-19(8-6-18)22-20(25)24-12-10-23(11-13-24)15-17-4-3-9-21-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyRPMRTCIINRLWPR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.55
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 17149206) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID17149206
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-16(2)18-5-7-19(8-6-18)22-20(25)24-12-10-23(11-13-24)15-17-4-3-9-21-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyRPMRTCIINRLWPR-UHFFFAOYSA-N
XLogP3.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 17149206) is N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is RPMRTCIINRLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(2)18-5-7-19(8-6-18)22-20(25)24-12-10-23(11-13-24)15-17-4-3-9-21-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17149206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).