1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide

C23H29N3O2 — CID 9134290

IUPAC1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(2)20-10-6-7-11-21(20)25-22(27)16-26-14-12-18(13-15-26)23(28)24-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyWCSFNYPZJFDOEI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.10
Rot. Bonds6

About 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide

1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134290) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134290
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(2)20-10-6-7-11-21(20)25-22(27)16-26-14-12-18(13-15-26)23(28)24-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyWCSFNYPZJFDOEI-UHFFFAOYSA-N
XLogP4.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide (CID 9134290) is 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is WCSFNYPZJFDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)20-10-6-7-11-21(20)25-22(27)16-26-14-12-18(13-15-26)23(28)24-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).