2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

C22H27ClN2O2 — CID 46996855

IUPAC2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2/c23-20-9-7-17(8-10-20)14-19-5-1-2-6-21(19)22(27)24-11-13-25-12-3-4-18(15-25)16-26/h1-2,5-10,18,26H,3-4,11-16H2,(H,24,27)
InChIKeyBOGGNRNGGXQTCO-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.36
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 46996855) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID46996855
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2/c23-20-9-7-17(8-10-20)14-19-5-1-2-6-21(19)22(27)24-11-13-25-12-3-4-18(15-25)16-26/h1-2,5-10,18,26H,3-4,11-16H2,(H,24,27)
InChIKeyBOGGNRNGGXQTCO-UHFFFAOYSA-N
XLogP3.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
1-(2,3-difluorophenyl)-3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118761885
2-[(4-chlorophenyl)methyl]-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]benzamide
CID 133132272
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide
CID 131912301
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
1-[3-(3-chlorophenyl)phenyl]-3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 97443460

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (CID 46996855) is 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCCC(CO)C1)c1ccccc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is BOGGNRNGGXQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-20-9-7-17(8-10-20)14-19-5-1-2-6-21(19)22(27)24-11-13-25-12-3-4-18(15-25)16-26/h1-2,5-10,18,26H,3-4,11-16H2,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 386.92 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 46996855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).