1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

C17H24N2O4 — CID 167815427

IUPAC1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)19-11-3-9-17(22,12-19)16(21)18-10-8-14-4-6-15(23-2)7-5-14/h4-7,22H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyGKDVHSFAFUPBIK-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.73
Rot. Bonds5

About 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 167815427) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID167815427
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)19-11-3-9-17(22,12-19)16(21)18-10-8-14-4-6-15(23-2)7-5-14/h4-7,22H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyGKDVHSFAFUPBIK-UHFFFAOYSA-N
XLogP0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128988868
(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 167815427) is 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2(O)CCCN(C(C)=O)C2)cc1.
What is the InChIKey of 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is GKDVHSFAFUPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(20)19-11-3-9-17(22,12-19)16(21)18-10-8-14-4-6-15(23-2)7-5-14/h4-7,22H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 167815427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).