2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide

C22H26N2O3 — CID 166315874

IUPAC2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N1CCCC(c2ccc(CO)cc2)C1
InChIInChI=1S/C22H26N2O3/c23-22(27)20-6-2-1-4-18(20)11-12-21(26)24-13-3-5-19(14-24)17-9-7-16(15-25)8-10-17/h1-2,4,6-10,19,25H,3,5,11-15H2,(H2,23,27)
InChIKeyDCXHVXXLMQZCCA-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.62
Rot. Bonds6

About 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide

2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 166315874) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID166315874
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N1CCCC(c2ccc(CO)cc2)C1
InChIInChI=1S/C22H26N2O3/c23-22(27)20-6-2-1-4-18(20)11-12-21(26)24-13-3-5-19(14-24)17-9-7-16(15-25)8-10-17/h1-2,4,6-10,19,25H,3,5,11-15H2,(H2,23,27)
InChIKeyDCXHVXXLMQZCCA-UHFFFAOYSA-N
XLogP2.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 129481116
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 141148896
3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120610223
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide (CID 166315874) is 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide is NC(=O)c1ccccc1CCC(=O)N1CCCC(c2ccc(CO)cc2)C1.
What is the InChIKey of 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is DCXHVXXLMQZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c23-22(27)20-6-2-1-4-18(20)11-12-21(26)24-13-3-5-19(14-24)17-9-7-16(15-25)8-10-17/h1-2,4,6-10,19,25H,3,5,11-15H2,(H2,23,27).
What are the key properties of 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide?
2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(hydroxymethyl)phenyl]piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 166315874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).