1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C22H32N2O3 — CID 2937371

IUPAC1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)18-8-6-17(7-9-18)21(26)24-12-10-16(11-13-24)20(25)23-15-19-5-4-14-27-19/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,25)
InChIKeyBNPZKLKDLPCIAM-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2937371) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2937371
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)18-8-6-17(7-9-18)21(26)24-12-10-16(11-13-24)20(25)23-15-19-5-4-14-27-19/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,25)
InChIKeyBNPZKLKDLPCIAM-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2201629
4-Methyl-N~1~-(3-morpholino-3-oxopropyl)benzamide
CID 2977005
N,N'-Bis-(tetrahydro-furan-2-ylmethyl)-terephthalamide
CID 551361
4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 1739911
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
N-[2,3-di(tetradecoxy)propyl]-3-piperidin-4-ylbenzamide;hydrochloride
CID 134231463
N-[2-(4-morpholinyl)ethyl]-4-biphenylcarboxamide
CID 693067
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide
CID 644557

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2937371) is 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BNPZKLKDLPCIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)18-8-6-17(7-9-18)21(26)24-12-10-16(11-13-24)20(25)23-15-19-5-4-14-27-19/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2937371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).