2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

C23H26N2O3 — CID 109140472

IUPAC2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)Nc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C23H26N2O3/c1-16-8-7-13-25(15-16)23(27)19-14-18(19)22(26)24-20-11-5-6-12-21(20)28-17-9-3-2-4-10-17/h2-6,9-12,16,18-19H,7-8,13-15H2,1H3,(H,24,26)
InChIKeyWVVWROXRYWUVIT-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109140472) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
PubChem CID109140472
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)Nc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C23H26N2O3/c1-16-8-7-13-25(15-16)23(27)19-14-18(19)22(26)24-20-11-5-6-12-21(20)28-17-9-3-2-4-10-17/h2-6,9-12,16,18-19H,7-8,13-15H2,1H3,(H,24,26)
InChIKeyWVVWROXRYWUVIT-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140395
1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140447
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
N-(4-ethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140401
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(3-methylpiperidin-1-yl)-[6-(2-phenoxyanilino)pyrimidin-4-yl]methanone
CID 109355229
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (CID 109140472) is 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is CC1CCCN(C(=O)C2CC2C(=O)Nc2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is WVVWROXRYWUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-8-7-13-25(15-16)23(27)19-14-18(19)22(26)24-20-11-5-6-12-21(20)28-17-9-3-2-4-10-17/h2-6,9-12,16,18-19H,7-8,13-15H2,1H3,(H,24,26).
What are the key properties of 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).