N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide

C22H26N2O3 — CID 51327520

IUPACN-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16-4-2-3-5-20(16)22(27)23-13-10-21(26)24-14-11-18(12-15-24)17-6-8-19(25)9-7-17/h2-9,18,25H,10-15H2,1H3,(H,23,27)
InChIKeyOTUXVKZZJIUTCX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.23
Rot. Bonds5

About N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide

N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide (PubChem CID 51327520) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
PubChem CID51327520
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16-4-2-3-5-20(16)22(27)23-13-10-21(26)24-14-11-18(12-15-24)17-6-8-19(25)9-7-17/h2-9,18,25H,10-15H2,1H3,(H,23,27)
InChIKeyOTUXVKZZJIUTCX-UHFFFAOYSA-N
XLogP3.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 134012928
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[3-[(3S)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 52520619
N-[3-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 124815650
2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55563545
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292
methyl (2R)-4-[3-[(2-methylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate
CID 9084221
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide (CID 51327520) is N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is OTUXVKZZJIUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-4-2-3-5-20(16)22(27)23-13-10-21(26)24-14-11-18(12-15-24)17-6-8-19(25)9-7-17/h2-9,18,25H,10-15H2,1H3,(H,23,27).
What are the key properties of N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide?
N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 51327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).