1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide

C20H28N2O2 — CID 778079

IUPAC1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-12-10-14(11-13-22)18(23)21-17-8-9-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyZZHRBPSJESCPPA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.11
Rot. Bonds3

About 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 778079) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID778079
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-12-10-14(11-13-22)18(23)21-17-8-9-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyZZHRBPSJESCPPA-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide (CID 778079) is 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ZZHRBPSJESCPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-12-10-14(11-13-22)18(23)21-17-8-9-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,23).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 778079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).