4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide

C15H21N3O — CID 47455397

IUPAC4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)16-15(19)18-10-8-17(9-11-18)14-6-7-14/h2-5,14H,6-11H2,1H3,(H,16,19)
InChIKeyXDARRYVWHCYOIR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds2

About 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide

4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 47455397) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID47455397
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)16-15(19)18-10-8-17(9-11-18)14-6-7-14/h2-5,14H,6-11H2,1H3,(H,16,19)
InChIKeyXDARRYVWHCYOIR-UHFFFAOYSA-N
XLogP2.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide (CID 47455397) is 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XDARRYVWHCYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)16-15(19)18-10-8-17(9-11-18)14-6-7-14/h2-5,14H,6-11H2,1H3,(H,16,19).
What are the key properties of 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide?
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47455397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).