N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H27ClN2O2 — CID 72844263

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-13(2)21-9-7-14(8-10-21)11-18(23)20-12-17(22)15-3-5-16(19)6-4-15/h3-6,13-14,17,22H,7-12H2,1-2H3,(H,20,23)
InChIKeyDUHVAQRULOCKHB-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72844263) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72844263
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-13(2)21-9-7-14(8-10-21)11-18(23)20-12-17(22)15-3-5-16(19)6-4-15/h3-6,13-14,17,22H,7-12H2,1-2H3,(H,20,23)
InChIKeyDUHVAQRULOCKHB-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]acetamide
CID 97206459
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
2-(1-ethylpiperidin-4-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 72923503
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 110931258
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72845963
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97197132
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72844263) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(CC(=O)NCC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is DUHVAQRULOCKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-13(2)21-9-7-14(8-10-21)11-18(23)20-12-17(22)15-3-5-16(19)6-4-15/h3-6,13-14,17,22H,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 338.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72844263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).