3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride

C18H29ClN4O — CID 119494536

IUPAC3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCCC1)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C18H28N4O.ClH/c23-18(9-6-15-4-2-1-3-5-15)21-17-8-7-16(14-20-17)22-12-10-19-11-13-22;/h7-8,14-15,19H,1-6,9-13H2,(H,20,21,23);1H
InChIKeyTVJHLYDMOGBAFR-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.21
Rot. Bonds5

About 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride

3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride (PubChem CID 119494536) has the molecular formula C18H29ClN4O and a molecular weight of 352.91 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
PubChem CID119494536
Molecular FormulaC18H29ClN4O
Molecular Weight352.91 g/mol
Exact Mass352.20
IUPAC Name3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCCC1)Nc1ccc(N2CCNCC2)cn1
InChIInChI=1S/C18H28N4O.ClH/c23-18(9-6-15-4-2-1-3-5-15)21-17-8-7-16(14-20-17)22-12-10-19-11-13-22;/h7-8,14-15,19H,1-6,9-13H2,(H,20,21,23);1H
InChIKeyTVJHLYDMOGBAFR-UHFFFAOYSA-N
XLogP3.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119494266
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
N-(5-piperazin-1-yl-2-pyridinyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260350
(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119494514
N-(5-piperazin-1-yl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 119494193
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride?
The IUPAC name of 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride (CID 119494536) is 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride is Cl.O=C(CCC1CCCCC1)Nc1ccc(N2CCNCC2)cn1.
What is the InChIKey of 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride?
The InChIKey is TVJHLYDMOGBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.ClH/c23-18(9-6-15-4-2-1-3-5-15)21-17-8-7-16(14-20-17)22-12-10-19-11-13-22;/h7-8,14-15,19H,1-6,9-13H2,(H,20,21,23);1H.
What are the key properties of 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride?
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 119494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).