1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

C16H31N3O — CID 119391627

IUPAC1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCCN2CCNCC2)CCC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-16(5-3-6-16)15(20)18-7-4-10-19-11-8-17-9-12-19/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyHHUMWEKEZINBAI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds7

About 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 119391627) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID119391627
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCCN2CCNCC2)CCC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-16(5-3-6-16)15(20)18-7-4-10-19-11-8-17-9-12-19/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyHHUMWEKEZINBAI-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119430611
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119448203
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (CID 119391627) is 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCCCN2CCNCC2)CCC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is HHUMWEKEZINBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)13-16(5-3-6-16)15(20)18-7-4-10-19-11-8-17-9-12-19/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119391627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).