2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide

C21H25N3O3 — CID 3053602

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-7-5-6-10-18(16)22-20(26)23-19(25)15-24-13-11-21(27,12-14-24)17-8-3-2-4-9-17/h2-10,27H,11-15H2,1H3,(H2,22,23,25,26)
InChIKeyFTQBXLXHQPXDND-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide

2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide (PubChem CID 3053602) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide
PubChem CID3053602
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-7-5-6-10-18(16)22-20(26)23-19(25)15-24-13-11-21(27,12-14-24)17-8-3-2-4-9-17/h2-10,27H,11-15H2,1H3,(H2,22,23,25,26)
InChIKeyFTQBXLXHQPXDND-UHFFFAOYSA-N
XLogP2.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-phenyl-urea
CID 11732727
8-(2-Hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 18441735
8-[(1R,2R)-2-hydroxy-2-phenylcyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 44406538
8-[(1S,2R)-2-hydroxy-2-phenylcyclohexyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 44406621
2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-phenylacetamide
CID 1967607
N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenyl-piperidino)acetamide
CID 3228763
4-hydroxy-N-phenyl-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxamide
CID 6459805
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8007471
6-(3-Ethyl-4-methyl-phenylamino)-3-[4-(4-hydroxy-4-phenyl-piperidin-1-yl)-butyl]-1H-pyrimidine-2,4-dione
CID 10928878
1-[3-(1-Hydroxy-1-methyl-ethyl)-benzyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44357068
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071955

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide (CID 3053602) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide is Cc1ccccc1NC(=O)NC(=O)CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide?
The InChIKey is FTQBXLXHQPXDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-7-5-6-10-18(16)22-20(26)23-19(25)15-24-13-11-21(27,12-14-24)17-8-3-2-4-9-17/h2-10,27H,11-15H2,1H3,(H2,22,23,25,26).
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 3053602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).