2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride

C23H35ClN4O2 — CID 120731926

IUPAC2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)NC1CCC(C(=O)N2CCNCC2c2cccnc2)CC1
InChIInChI=1S/C23H34N4O2.ClH/c28-22(14-17-4-1-2-5-17)26-20-9-7-18(8-10-20)23(29)27-13-12-25-16-21(27)19-6-3-11-24-15-19;/h3,6,11,15,17-18,20-21,25H,1-2,4-5,7-10,12-14,16H2,(H,26,28);1H
InChIKeyZASBGJDXDGTKMI-UHFFFAOYSA-N
MW435.01 g/mol
LogP3.23
Rot. Bonds5

About 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride

2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride (PubChem CID 120731926) has the molecular formula C23H35ClN4O2 and a molecular weight of 435.01 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride
PubChem CID120731926
Molecular FormulaC23H35ClN4O2
Molecular Weight435.01 g/mol
Exact Mass434.24
IUPAC Name2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)NC1CCC(C(=O)N2CCNCC2c2cccnc2)CC1
InChIInChI=1S/C23H34N4O2.ClH/c28-22(14-17-4-1-2-5-17)26-20-9-7-18(8-10-20)23(29)27-13-12-25-16-21(27)19-6-3-11-24-15-19;/h3,6,11,15,17-18,20-21,25H,1-2,4-5,7-10,12-14,16H2,(H,26,28);1H
InChIKeyZASBGJDXDGTKMI-UHFFFAOYSA-N
XLogP3.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731808
N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
CID 120731000
(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
CID 120730417
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 169215534
1-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120729616
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride (CID 120731926) is 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride is Cl.O=C(CC1CCCC1)NC1CCC(C(=O)N2CCNCC2c2cccnc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride?
The InChIKey is ZASBGJDXDGTKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.ClH/c28-22(14-17-4-1-2-5-17)26-20-9-7-18(8-10-20)23(29)27-13-12-25-16-21(27)19-6-3-11-24-15-19;/h3,6,11,15,17-18,20-21,25H,1-2,4-5,7-10,12-14,16H2,(H,26,28);1H.
What are the key properties of 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride?
2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride has a molecular weight of 435.01 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 120731926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).