N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C22H27ClN2O2 — CID 4272135

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H27ClN2O2/c23-21-8-6-19(7-9-21)16-24-12-10-20(11-13-24)22(27)25(14-15-26)17-18-4-2-1-3-5-18/h1-9,20,26H,10-17H2
InChIKeySYTBGEGCZVLGOA-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 4272135) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID4272135
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H27ClN2O2/c23-21-8-6-19(7-9-21)16-24-12-10-20(11-13-24)22(27)25(14-15-26)17-18-4-2-1-3-5-18/h1-9,20,26H,10-17H2
InChIKeySYTBGEGCZVLGOA-UHFFFAOYSA-N
XLogP3.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
2-[Benzyl(4-chlorobenzyl)amino]ethanol
CID 783223
(2E)-1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 897623
Cambridge id 7028241
CID 1534372
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2903763
1-[(4-chlorophenyl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 3889245
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 9976459
N-benzyl-1-(4-chlorobenzyl)piperidine-4-carboxamide
CID 25249192
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 44528938
1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 44528940
N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 70683317

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 4272135) is N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is SYTBGEGCZVLGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-21-8-6-19(7-9-21)16-24-12-10-20(11-13-24)22(27)25(14-15-26)17-18-4-2-1-3-5-18/h1-9,20,26H,10-17H2.
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4272135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).