N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide

C15H30N2O — CID 18735844

IUPACN-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide
SMILESCCCN(CCC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O/c1-5-10-16(13-9-15(2,3)4)14(18)17-11-7-6-8-12-17/h5-13H2,1-4H3
InChIKeySANOFESSPKCSMT-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.74
Rot. Bonds4

About N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide

N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide (PubChem CID 18735844) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide
PubChem CID18735844
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide
SMILESCCCN(CCC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O/c1-5-10-16(13-9-15(2,3)4)14(18)17-11-7-6-8-12-17/h5-13H2,1-4H3
InChIKeySANOFESSPKCSMT-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide (CID 18735844) is N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide is CCCN(CCC(C)(C)C)C(=O)N1CCCCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is SANOFESSPKCSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-10-16(13-9-15(2,3)4)14(18)17-11-7-6-8-12-17/h5-13H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide?
N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 18735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).