2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

C21H23ClN2O3 — CID 56510698

IUPAC2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C21H23ClN2O3/c22-19-7-2-1-4-16(19)13-20(26)23-18-6-3-5-17(12-18)21(27)24-10-8-15(14-25)9-11-24/h1-7,12,15,25H,8-11,13-14H2,(H,23,26)
InChIKeyOOUISMLMRJQMOC-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide

2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 56510698) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID56510698
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C21H23ClN2O3/c22-19-7-2-1-4-16(19)13-20(26)23-18-6-3-5-17(12-18)21(27)24-10-8-15(14-25)9-11-24/h1-7,12,15,25H,8-11,13-14H2,(H,23,26)
InChIKeyOOUISMLMRJQMOC-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
CID 56511851
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
CID 56511594
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54810249
3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one
CID 166195599
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide (CID 56510698) is 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is O=C(Cc1ccccc1Cl)Nc1cccc(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is OOUISMLMRJQMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-19-7-2-1-4-16(19)13-20(26)23-18-6-3-5-17(12-18)21(27)24-10-8-15(14-25)9-11-24/h1-7,12,15,25H,8-11,13-14H2,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 56510698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).