1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

C22H24N4O2 — CID 17487362

IUPAC1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16(21(27)25-20-10-6-5-7-18(20)15-23)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,16-17H,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyIPVHIKUHOYDBCF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.24
Rot. Bonds5

About 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide

1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 17487362) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID17487362
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16(21(27)25-20-10-6-5-7-18(20)15-23)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,16-17H,11-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyIPVHIKUHOYDBCF-UHFFFAOYSA-N
XLogP3.24
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8995765
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide (CID 17487362) is 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is CC(C(=O)Nc1ccccc1C#N)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is IPVHIKUHOYDBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(21(27)25-20-10-6-5-7-18(20)15-23)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,16-17H,11-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide?
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17487362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).