1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride

C17H33ClN4O2 — CID 120982240

IUPAC1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCNC(=O)C1(NCCC(=O)N2CCNCC2)CCCCC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-2-9-19-16(23)17(7-4-3-5-8-17)20-10-6-15(22)21-13-11-18-12-14-21;/h18,20H,2-14H2,1H3,(H,19,23);1H
InChIKeyAHYPWLIJNDSIEY-UHFFFAOYSA-N
MW360.93 g/mol
LogP1.05
Rot. Bonds7

About 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride

1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 120982240) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride
PubChem CID120982240
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride
SMILESCCCNC(=O)C1(NCCC(=O)N2CCNCC2)CCCCC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-2-9-19-16(23)17(7-4-3-5-8-17)20-10-6-15(22)21-13-11-18-12-14-21;/h18,20H,2-14H2,1H3,(H,19,23);1H
InChIKeyAHYPWLIJNDSIEY-UHFFFAOYSA-N
XLogP1.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide
CID 110009499
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363

Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride (CID 120982240) is 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride is CCCNC(=O)C1(NCCC(=O)N2CCNCC2)CCCCC1.Cl.
What is the InChIKey of 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AHYPWLIJNDSIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-2-9-19-16(23)17(7-4-3-5-8-17)20-10-6-15(22)21-13-11-18-12-14-21;/h18,20H,2-14H2,1H3,(H,19,23);1H.
What are the key properties of 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride?
1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120982240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).