N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride

C20H30ClN3O2 — CID 120570628

IUPACN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1C.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-15(2)23(12-11-21-14)20(25)17-9-6-10-18(13-17)22-19(24)16-7-4-3-5-8-16;/h6,9-10,13-16,21H,3-5,7-8,11-12H2,1-2H3,(H,22,24);1H
InChIKeyXYMVZGSDYOTCNB-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.45
Rot. Bonds3

About N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride

N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120570628) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID120570628
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCC1NCCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1C.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-14-15(2)23(12-11-21-14)20(25)17-9-6-10-18(13-17)22-19(24)16-7-4-3-5-8-16;/h6,9-10,13-16,21H,3-5,7-8,11-12H2,1-2H3,(H,22,24);1H
InChIKeyXYMVZGSDYOTCNB-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
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3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
N-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120995374
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119541694
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride (CID 120570628) is N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride is CC1NCCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1C.Cl.
What is the InChIKey of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is XYMVZGSDYOTCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-14-15(2)23(12-11-21-14)20(25)17-9-6-10-18(13-17)22-19(24)16-7-4-3-5-8-16;/h6,9-10,13-16,21H,3-5,7-8,11-12H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride?
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120570628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).