N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide

C18H28N2O — CID 115597355

IUPACN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21)
InChIKeyHMHPVHCCTJEQQB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide

N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 115597355) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
PubChem CID115597355
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21)
InChIKeyHMHPVHCCTJEQQB-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide (CID 115597355) is N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide is CC(C)(C)CCNC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is HMHPVHCCTJEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)9-14-20-16(21)18(10-12-19-13-11-18)15-7-5-4-6-8-15/h4-8,19H,9-14H2,1-3H3,(H,20,21).
What are the key properties of N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide?
N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 115597355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).