4-methyl-N-pentylpiperidine-1-carboxamide

C12H24N2O — CID 108987973

IUPAC4-methyl-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyZVWQTTCMILVTNG-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-N-pentylpiperidine-1-carboxamide

4-methyl-N-pentylpiperidine-1-carboxamide (PubChem CID 108987973) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-methyl-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pentylpiperidine-1-carboxamide
PubChem CID108987973
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-methyl-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyZVWQTTCMILVTNG-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-pentylpiperidine-1-carboxamide (CID 108987973) is 4-methyl-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-pentylpiperidine-1-carboxamide?
The InChIKey is ZVWQTTCMILVTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-N-pentylpiperidine-1-carboxamide?
4-methyl-N-pentylpiperidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 108987973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).