(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide

C25H32N2O3 — CID 126604020

IUPAC(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2)c1C
InChIInChI=1S/C25H32N2O3/c1-17-21(12-7-13-22(17)30-5)24(29)27-14-8-9-18(16-27)23(28)26-20-11-6-10-19(15-20)25(2,3)4/h6-7,10-13,15,18H,8-9,14,16H2,1-5H3,(H,26,28)/t18-/m0/s1
InChIKeyPMDBGXFWNJXPTJ-SFHVURJKSA-N
MW408.54 g/mol
LogP4.79
Rot. Bonds4

About (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide

(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 126604020) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
PubChem CID126604020
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2)c1C
InChIInChI=1S/C25H32N2O3/c1-17-21(12-7-13-22(17)30-5)24(29)27-14-8-9-18(16-27)23(28)26-20-11-6-10-19(15-20)25(2,3)4/h6-7,10-13,15,18H,8-9,14,16H2,1-5H3,(H,26,28)/t18-/m0/s1
InChIKeyPMDBGXFWNJXPTJ-SFHVURJKSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
CID 121382012
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 25374168
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide (CID 126604020) is (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide is COc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2)c1C.
What is the InChIKey of (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is PMDBGXFWNJXPTJ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-21(12-7-13-22(17)30-5)24(29)27-14-8-9-18(16-27)23(28)26-20-11-6-10-19(15-20)25(2,3)4/h6-7,10-13,15,18H,8-9,14,16H2,1-5H3,(H,26,28)/t18-/m0/s1.
What are the key properties of (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide?
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 126604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).