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

C19H29N3O — CID 108902650

IUPACN-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CCCC3)CC2)c1C
InChIInChI=1S/C19H29N3O/c1-15-6-5-9-18(16(15)2)21-10-12-22(13-11-21)19(23)20-14-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H,20,23)
InChIKeyMDECDQRBWIDYQY-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.33
Rot. Bonds3

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

N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 108902650) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID108902650
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CCCC3)CC2)c1C
InChIInChI=1S/C19H29N3O/c1-15-6-5-9-18(16(15)2)21-10-12-22(13-11-21)19(23)20-14-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H,20,23)
InChIKeyMDECDQRBWIDYQY-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 122564074
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
4-(2,3-dimethylphenyl)-N-[(2-ethylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893447
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
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
3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 108902650) is N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NCC3CCCC3)CC2)c1C.
What is the InChIKey of N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is MDECDQRBWIDYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-6-5-9-18(16(15)2)21-10-12-22(13-11-21)19(23)20-14-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H,20,23).
What are the key properties of N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108902650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).