N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide

C20H29ClN2O2 — CID 70719064

IUPACN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C20H29ClN2O2/c1-15-14-23(12-10-20(15,25)17-6-4-7-17)11-9-19(24)22-13-16-5-2-3-8-18(16)21/h2-3,5,8,15,17,25H,4,6-7,9-14H2,1H3,(H,22,24)/t15-,20+/m1/s1
InChIKeyQFPSRFBUQGQTMN-QRWLVFNGSA-N
MW364.92 g/mol
LogP3.22
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide (PubChem CID 70719064) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
PubChem CID70719064
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C20H29ClN2O2/c1-15-14-23(12-10-20(15,25)17-6-4-7-17)11-9-19(24)22-13-16-5-2-3-8-18(16)21/h2-3,5,8,15,17,25H,4,6-7,9-14H2,1H3,(H,22,24)/t15-,20+/m1/s1
InChIKeyQFPSRFBUQGQTMN-QRWLVFNGSA-N
XLogP3.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-o-chlorophenethyl-4-hydroxy-4-piperidyl)-N-butylpropionamide
CID 13061551
N-(3-chlorobenzyl)-3-[(4S*)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
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1-acetyl-N-(2-chlorobenzyl)azetidine-3-carboxamide
CID 71785207
N-(2-chlorobenzyl)-3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]propanamide
CID 72901991
N-benzyl-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]-N-methylpropanamide
CID 72933269
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156601731
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762839
1-(2-chlorobenzyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795603
N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156601728
N-(3-chlorobenzyl)-3-(1-oxa-7-azaspiro[3.5]non-7-yl)propanamide
CID 118790065
1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128985639
N-[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 86771676

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide (CID 70719064) is N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide is C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CC[C@@]1(O)C1CCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide?
The InChIKey is QFPSRFBUQGQTMN-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-15-14-23(12-10-20(15,25)17-6-4-7-17)11-9-19(24)22-13-16-5-2-3-8-18(16)21/h2-3,5,8,15,17,25H,4,6-7,9-14H2,1H3,(H,22,24)/t15-,20+/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide has a molecular weight of 364.92 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 70719064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).