1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide

C25H32N2O4 — CID 24637985

IUPAC1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)ccc1OCC(C)C
InChIInChI=1S/C25H32N2O4/c1-4-30-23-15-19(12-13-22(23)31-17-18(2)3)25(29)27-14-8-9-20(16-27)24(28)26-21-10-6-5-7-11-21/h5-7,10-13,15,18,20H,4,8-9,14,16-17H2,1-3H3,(H,26,28)
InChIKeyUGJGBVPOKKZSIZ-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.61
Rot. Bonds8

About 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide

1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 24637985) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID24637985
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)ccc1OCC(C)C
InChIInChI=1S/C25H32N2O4/c1-4-30-23-15-19(12-13-22(23)31-17-18(2)3)25(29)27-14-8-9-20(16-27)24(28)26-21-10-6-5-7-11-21/h5-7,10-13,15,18,20H,4,8-9,14,16-17H2,1-3H3,(H,26,28)
InChIKeyUGJGBVPOKKZSIZ-UHFFFAOYSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 42924927
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 42925478
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide (CID 24637985) is 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide is CCOc1cc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)ccc1OCC(C)C.
What is the InChIKey of 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is UGJGBVPOKKZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-30-23-15-19(12-13-22(23)31-17-18(2)3)25(29)27-14-8-9-20(16-27)24(28)26-21-10-6-5-7-11-21/h5-7,10-13,15,18,20H,4,8-9,14,16-17H2,1-3H3,(H,26,28).
What are the key properties of 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide?
1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 24637985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).