N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide

C17H30N4O2 — CID 75420102

IUPACN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCN(C2CC2)CC1)C(=O)C1CCC1
InChIInChI=1S/C17H30N4O2/c1-19(16(22)14-4-2-5-14)9-3-8-18-17(23)21-12-10-20(11-13-21)15-6-7-15/h14-15H,2-13H2,1H3,(H,18,23)
InChIKeyZWZPUFIKQYHGTH-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.12
Rot. Bonds6

About N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide

N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide (PubChem CID 75420102) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
PubChem CID75420102
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCN(C2CC2)CC1)C(=O)C1CCC1
InChIInChI=1S/C17H30N4O2/c1-19(16(22)14-4-2-5-14)9-3-8-18-17(23)21-12-10-20(11-13-21)15-6-7-15/h14-15H,2-13H2,1H3,(H,18,23)
InChIKeyZWZPUFIKQYHGTH-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859906
N-(2-aminoethyl)-4-cyclopropylpiperazine-1-carboxamide
CID 82508516
(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95129932
N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
CID 84586773
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
4-cyclobutyl-N-(3-hydroxy-2,2,3-trimethylbutyl)piperazine-1-carboxamide
CID 167814086
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-(3-cyclopentylpropyl)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 45204711
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide (CID 75420102) is N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide is CN(CCCNC(=O)N1CCN(C2CC2)CC1)C(=O)C1CCC1.
What is the InChIKey of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide?
The InChIKey is ZWZPUFIKQYHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-19(16(22)14-4-2-5-14)9-3-8-18-17(23)21-12-10-20(11-13-21)15-6-7-15/h14-15H,2-13H2,1H3,(H,18,23).
What are the key properties of N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide?
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 75420102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).