1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

C16H20Cl2N2O3 — CID 128987228

IUPAC1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(21)20-9-3-7-16(23,10-20)15(22)19-8-6-12-13(17)4-2-5-14(12)18/h2,4-5,23H,3,6-10H2,1H3,(H,19,22)
InChIKeyCMKPQSVZIUBSGD-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.03
Rot. Bonds4

About 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128987228) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128987228
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(21)20-9-3-7-16(23,10-20)15(22)19-8-6-12-13(17)4-2-5-14(12)18/h2,4-5,23H,3,6-10H2,1H3,(H,19,22)
InChIKeyCMKPQSVZIUBSGD-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 129487146
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 129491664
(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485209

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 128987228) is 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCCC(O)(C(=O)NCCc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is CMKPQSVZIUBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-11(21)20-9-3-7-16(23,10-20)15(22)19-8-6-12-13(17)4-2-5-14(12)18/h2,4-5,23H,3,6-10H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128987228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).