N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C24H33ClN4O — CID 120755482

IUPACN-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H32N4O.ClH/c29-23(18-28-15-14-26-17-22(28)21-12-7-13-25-16-21)27-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1,3-4,7-9,12-13,16,20,22,24,26H,2,5-6,10-11,14-15,17-18H2,(H,27,29);1H
InChIKeyPEVPKPZCXDOBQR-UHFFFAOYSA-N
MW429.01 g/mol
LogP3.89
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755482) has the molecular formula C24H33ClN4O and a molecular weight of 429.01 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755482
Molecular FormulaC24H33ClN4O
Molecular Weight429.01 g/mol
Exact Mass428.23
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H32N4O.ClH/c29-23(18-28-15-14-26-17-22(28)21-12-7-13-25-16-21)27-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1,3-4,7-9,12-13,16,20,22,24,26H,2,5-6,10-11,14-15,17-18H2,(H,27,29);1H
InChIKeyPEVPKPZCXDOBQR-UHFFFAOYSA-N
XLogP3.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.01
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755925
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-[1-(4-chlorophenyl)propyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754885
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755482) is N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is PEVPKPZCXDOBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O.ClH/c29-23(18-28-15-14-26-17-22(28)21-12-7-13-25-16-21)27-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1,3-4,7-9,12-13,16,20,22,24,26H,2,5-6,10-11,14-15,17-18H2,(H,27,29);1H.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 429.01 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).