3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide

C23H28N2O3 — CID 109052369

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-21-9-7-20(8-10-21)24-22(26)18-5-4-6-19(15-18)23(27)25-13-11-17(3)12-14-25/h4-10,15-17H,11-14H2,1-3H3,(H,24,26)
InChIKeyWCPGUBCLCUGBCA-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.60
Rot. Bonds5

About 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide

3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 109052369) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID109052369
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-21-9-7-20(8-10-21)24-22(26)18-5-4-6-19(15-18)23(27)25-13-11-17(3)12-14-25/h4-10,15-17H,11-14H2,1-3H3,(H,24,26)
InChIKeyWCPGUBCLCUGBCA-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179701
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide (CID 109052369) is 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide is CC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is WCPGUBCLCUGBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)28-21-9-7-20(8-10-21)24-22(26)18-5-4-6-19(15-18)23(27)25-13-11-17(3)12-14-25/h4-10,15-17H,11-14H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide?
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 109052369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).