N-heptan-2-yl-2-methylpiperidine-1-carboxamide

C14H28N2O — CID 56795913

IUPACN-heptan-2-yl-2-methylpiperidine-1-carboxamide
SMILESCCCCCC(C)NC(=O)N1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-4-5-6-9-12(2)15-14(17)16-11-8-7-10-13(16)3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKSIVGDNASZBXJX-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.54
Rot. Bonds5

About N-heptan-2-yl-2-methylpiperidine-1-carboxamide

N-heptan-2-yl-2-methylpiperidine-1-carboxamide (PubChem CID 56795913) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-heptan-2-yl-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-methylpiperidine-1-carboxamide
PubChem CID56795913
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-heptan-2-yl-2-methylpiperidine-1-carboxamide
SMILESCCCCCC(C)NC(=O)N1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-4-5-6-9-12(2)15-14(17)16-11-8-7-10-13(16)3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKSIVGDNASZBXJX-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cycluron
CID 16554
1-Cycloheptyl-3-(1-acetylpiperidin-4-yl)urea
CID 25073288
1-Cyclohexyl-3-methylurea
CID 308344
N-Methyl-1-piperidinecarboxamide
CID 3442879
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-Cyclohexyl-3-hexyl urea
CID 5151394
3-(1-Acetylpiperidin-4-YL)-1-cyclohexylurea
CID 25070135
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-heptan-2-yl-2-methylpiperidine-1-carboxamide (CID 56795913) is N-heptan-2-yl-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-heptan-2-yl-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-heptan-2-yl-2-methylpiperidine-1-carboxamide is CCCCCC(C)NC(=O)N1CCCCC1C.
What is the InChIKey of N-heptan-2-yl-2-methylpiperidine-1-carboxamide?
The InChIKey is KSIVGDNASZBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-6-9-12(2)15-14(17)16-11-8-7-10-13(16)3/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-heptan-2-yl-2-methylpiperidine-1-carboxamide?
N-heptan-2-yl-2-methylpiperidine-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 56795913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).