(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

C17H23ClN2O4 — CID 129345760

IUPAC(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-14(24-2)10-15(13)18/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyWQPUDZUNXAMYBN-QGZVFWFLSA-N
MW354.83 g/mol
LogP1.38
Rot. Bonds5

About (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide

(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129345760) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129345760
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-14(24-2)10-15(13)18/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyWQPUDZUNXAMYBN-QGZVFWFLSA-N
XLogP1.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
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
(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
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 129345760) is (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c(Cl)c1.
What is the InChIKey of (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is WQPUDZUNXAMYBN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-12(21)20-9-3-7-17(23,11-20)16(22)19-8-6-13-4-5-14(24-2)10-15(13)18/h4-5,10,23H,3,6-9,11H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide?
(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 354.83 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129345760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).