1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C18H26N2O — CID 134218287

IUPAC1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(C2(C(N)=O)CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)14-3-5-15(6-4-14)18(17(19)21)9-11-20(12-10-18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H2,19,21)
InChIKeyKHTWYQRJYSDWET-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.79
Rot. Bonds4

About 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 134218287) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID134218287
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(C2(C(N)=O)CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)14-3-5-15(6-4-14)18(17(19)21)9-11-20(12-10-18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H2,19,21)
InChIKeyKHTWYQRJYSDWET-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 134218287) is 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(C2(C(N)=O)CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is KHTWYQRJYSDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)14-3-5-15(6-4-14)18(17(19)21)9-11-20(12-10-18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H2,19,21).
What are the key properties of 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 134218287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).