N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

C19H30ClN3O — CID 108868301

IUPACN-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1C.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-15-7-6-10-18(16(15)2)21-11-13-22(14-12-21)19(23)20-17-8-4-3-5-9-17;/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3,(H,20,23);1H
InChIKeyOVBQKGVOMFSKIX-UHFFFAOYSA-N
MW351.92 g/mol
LogP3.89
Rot. Bonds2

About N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 108868301) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID108868301
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC NameN-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1C.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-15-7-6-10-18(16(15)2)21-11-13-22(14-12-21)19(23)20-17-8-4-3-5-9-17;/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3,(H,20,23);1H
InChIKeyOVBQKGVOMFSKIX-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 17371349
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclohexyl-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113076124
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
(2S)-N-cyclopentyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide
CID 2411592
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582654

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (CID 108868301) is N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1C.Cl.
What is the InChIKey of N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is OVBQKGVOMFSKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-15-7-6-10-18(16(15)2)21-11-13-22(14-12-21)19(23)20-17-8-4-3-5-9-17;/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3,(H,20,23);1H.
What are the key properties of N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108868301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).