2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide

C28H27N3O3 — CID 112804628

IUPAC2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C28H27N3O3/c1-2-34-23-13-11-20(12-14-23)28(33)31-17-15-22(16-18-31)30-27(32)26-10-6-5-9-25(26)24-8-4-3-7-21(24)19-29/h3-14,22H,2,15-18H2,1H3,(H,30,32)
InChIKeyCEYWWHFICQBSDL-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide

2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 112804628) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID112804628
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C28H27N3O3/c1-2-34-23-13-11-20(12-14-23)28(33)31-17-15-22(16-18-31)30-27(32)26-10-6-5-9-25(26)24-8-4-3-7-21(24)19-29/h3-14,22H,2,15-18H2,1H3,(H,30,32)
InChIKeyCEYWWHFICQBSDL-UHFFFAOYSA-N
XLogP4.66
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
CID 112804091
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide
CID 94695007
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide (CID 112804628) is 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is CEYWWHFICQBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-2-34-23-13-11-20(12-14-23)28(33)31-17-15-22(16-18-31)30-27(32)26-10-6-5-9-25(26)24-8-4-3-7-21(24)19-29/h3-14,22H,2,15-18H2,1H3,(H,30,32).
What are the key properties of 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 453.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 112804628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).