1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

C30H34N2O3 — CID 1003986

IUPAC1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C30H34N2O3/c1-30(2,3)25-11-9-24(10-12-25)29(34)32-19-17-23(18-20-32)28(33)31-26-13-15-27(16-14-26)35-21-22-7-5-4-6-8-22/h4-16,23H,17-21H2,1-3H3,(H,31,33)
InChIKeyMJNGHPXDAPGRHE-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.05
Rot. Bonds6

About 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (PubChem CID 1003986) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
PubChem CID1003986
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C30H34N2O3/c1-30(2,3)25-11-9-24(10-12-25)29(34)32-19-17-23(18-20-32)28(33)31-26-13-15-27(16-14-26)35-21-22-7-5-4-6-8-22/h4-16,23H,17-21H2,1-3H3,(H,31,33)
InChIKeyMJNGHPXDAPGRHE-UHFFFAOYSA-N
XLogP6.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 41454969
1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (CID 1003986) is 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is MJNGHPXDAPGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-30(2,3)25-11-9-24(10-12-25)29(34)32-19-17-23(18-20-32)28(33)31-26-13-15-27(16-14-26)35-21-22-7-5-4-6-8-22/h4-16,23H,17-21H2,1-3H3,(H,31,33).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 6.05, 6 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-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).