N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

C26H32N2O2 — CID 110232027

IUPACN-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2C)C1
InChIInChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-9-15-28(18-26)24(29)23-16-19(23)2)17-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,19,23H,3,9,14-18H2,1-2H3,(H,27,30)
InChIKeyVERPXGTVJKCVQP-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232027) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232027
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2C)C1
InChIInChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-9-15-28(18-26)24(29)23-16-19(23)2)17-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,19,23H,3,9,14-18H2,1-2H3,(H,27,30)
InChIKeyVERPXGTVJKCVQP-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
(3S)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583434
1-(2-methylcyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231872
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
(3S)-N-ethyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 92591842
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583432
(3R)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592103
(3S)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (CID 110232027) is N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2C)C1.
What is the InChIKey of N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VERPXGTVJKCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-9-15-28(18-26)24(29)23-16-19(23)2)17-21-12-7-8-13-22(21)20-10-5-4-6-11-20/h4-8,10-13,19,23H,3,9,14-18H2,1-2H3,(H,27,30).
What are the key properties of N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).