N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C17H25N3O — CID 25349553

IUPACN-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CC3)CC2)c1C
InChIInChI=1S/C17H25N3O/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17(21)18-12-15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,18,21)
InChIKeyCOGNPDFLLZMUGT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.55
Rot. Bonds3

About N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 25349553) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID25349553
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CC3)CC2)c1C
InChIInChI=1S/C17H25N3O/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17(21)18-12-15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,18,21)
InChIKeyCOGNPDFLLZMUGT-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 122564074
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2,3-dimethylphenyl)-N-[(2-ethylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893447
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
4-(2,3-dimethylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111238576

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 25349553) is N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NCC3CC3)CC2)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is COGNPDFLLZMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17(21)18-12-15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 25349553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).