4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride

C23H42ClN3O2 — CID 119824580

IUPAC4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C23H41N3O2.ClH/c1-2-16-26(21-12-14-24-15-13-21)23(28)19-8-10-20(11-9-19)25-22(27)17-18-6-4-3-5-7-18;/h18-21,24H,2-17H2,1H3,(H,25,27);1H
InChIKeyUZMYXXQXNIXAQW-UHFFFAOYSA-N
MW428.06 g/mol
LogP4.04
Rot. Bonds7

About 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride

4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119824580) has the molecular formula C23H42ClN3O2 and a molecular weight of 428.06 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119824580
Molecular FormulaC23H42ClN3O2
Molecular Weight428.06 g/mol
Exact Mass427.30
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C23H41N3O2.ClH/c1-2-16-26(21-12-14-24-15-13-21)23(28)19-8-10-20(11-9-19)25-22(27)17-18-6-4-3-5-7-18;/h18-21,24H,2-17H2,1H3,(H,25,27);1H
InChIKeyUZMYXXQXNIXAQW-UHFFFAOYSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.06
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119552192
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-cycloheptyl-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933007
N-(4-methylcyclohexyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933013
N-(azetidin-3-yl)-N-propylcyclopropanecarboxamide
CID 66181610
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-[2-(dimethylamino)ethyl]-N-piperidin-4-ylcyclopropanecarboxamide
CID 141093299
N-piperidin-4-yl-N-propyloxolane-3-carboxamide;hydrochloride
CID 119823621
N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
CID 60805911
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120555118

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride (CID 119824580) is 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride is CCCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNCC1.Cl.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UZMYXXQXNIXAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2.ClH/c1-2-16-26(21-12-14-24-15-13-21)23(28)19-8-10-20(11-9-19)25-22(27)17-18-6-4-3-5-7-18;/h18-21,24H,2-17H2,1H3,(H,25,27);1H.
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride?
4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 428.06 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).