N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide

C15H30N4O — CID 23140276

IUPACN-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-3-4-5-6-7-16-15(20)19-12-14(13-19)18-10-8-17(2)9-11-18/h14H,3-13H2,1-2H3,(H,16,20)
InChIKeyKXITUVSZRAKDNT-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.21
Rot. Bonds6

About N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide

N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (PubChem CID 23140276) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
PubChem CID23140276
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O/c1-3-4-5-6-7-16-15(20)19-12-14(13-19)18-10-8-17(2)9-11-18/h14H,3-13H2,1-2H3,(H,16,20)
InChIKeyKXITUVSZRAKDNT-UHFFFAOYSA-N
XLogP1.21
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.21
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

N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145120
2-methyl-N-propylpiperidine-1-carboxamide
CID 6468414
N-cyclohexyl-4-ethylpiperazine-1-carboxamide
CID 858169
N-cyclohexylpiperazine-1-carboxamide
CID 6489234
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride
CID 53256927
N-cyclohexyl(2-methylpiperidyl)carboxamide
CID 2903296
N-heptan-2-yl-2-methylpiperidine-1-carboxamide
CID 56795913

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (CID 23140276) is N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is CCCCCCNC(=O)N1CC(N2CCN(C)CC2)C1.
What is the InChIKey of N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The InChIKey is KXITUVSZRAKDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-4-5-6-7-16-15(20)19-12-14(13-19)18-10-8-17(2)9-11-18/h14H,3-13H2,1-2H3,(H,16,20).
What are the key properties of N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).