1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

C21H30N2O3 — CID 113006797

IUPAC1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-15(2)18-5-3-4-6-19(18)22-20(24)16-7-11-23(12-8-16)21(25)17-9-13-26-14-10-17/h3-6,15-17H,7-14H2,1-2H3,(H,22,24)
InChIKeyGWYBZXRZTLXMFR-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.41
Rot. Bonds4

About 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 113006797) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID113006797
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-15(2)18-5-3-4-6-19(18)22-20(24)16-7-11-23(12-8-16)21(25)17-9-13-26-14-10-17/h3-6,15-17H,7-14H2,1-2H3,(H,22,24)
InChIKeyGWYBZXRZTLXMFR-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109146286
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556

Frequently Asked Questions

What is the IUPAC name of 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 113006797) is 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is GWYBZXRZTLXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)18-5-3-4-6-19(18)22-20(24)16-7-11-23(12-8-16)21(25)17-9-13-26-14-10-17/h3-6,15-17H,7-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).