1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide

C27H26N4O3 — CID 46909211

IUPAC1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(C#N)c(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccccn4)c3)CC2)c1
InChIInChI=1S/C27H26N4O3/c1-2-34-23-10-9-21(18-28)24(17-23)27(33)31-14-11-19(12-15-31)26(32)30-22-7-5-6-20(16-22)25-8-3-4-13-29-25/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,30,32)
InChIKeyFZPZPHZJJOZKFU-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.51
Rot. Bonds6

About 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide

1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 46909211) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide
PubChem CID46909211
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(C#N)c(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccccn4)c3)CC2)c1
InChIInChI=1S/C27H26N4O3/c1-2-34-23-10-9-21(18-28)24(17-23)27(33)31-14-11-19(12-15-31)26(32)30-22-7-5-6-20(16-22)25-8-3-4-13-29-25/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,30,32)
InChIKeyFZPZPHZJJOZKFU-UHFFFAOYSA-N
XLogP4.51
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
CID 70644256
1-(3,5-dimethoxybenzoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55718668
1-(4-ethoxyphenyl)sulfonyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 30872943
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(2-cyanobenzoyl)-N-(2-propan-2-ylindazol-6-yl)piperidine-4-carboxamide
CID 46909213
2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
CID 169176034
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide (CID 46909211) is 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide is CCOc1ccc(C#N)c(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccccn4)c3)CC2)c1.
What is the InChIKey of 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is FZPZPHZJJOZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-2-34-23-10-9-21(18-28)24(17-23)27(33)31-14-11-19(12-15-31)26(32)30-22-7-5-6-20(16-22)25-8-3-4-13-29-25/h3-10,13,16-17,19H,2,11-12,14-15H2,1H3,(H,30,32).
What are the key properties of 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide?
1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46909211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).