(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide

C15H18Cl2N2O3 — CID 94472229

IUPAC(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-9-2-3-10(15(18)21)7-19(9)14(20)8-22-13-6-11(16)4-5-12(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,18,21)/t9-,10-/m1/s1
InChIKeyBOZJHYWXSADYCK-NXEZZACHSA-N
MW345.23 g/mol
LogP2.48
Rot. Bonds4

About (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 94472229) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID94472229
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-9-2-3-10(15(18)21)7-19(9)14(20)8-22-13-6-11(16)4-5-12(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,18,21)/t9-,10-/m1/s1
InChIKeyBOZJHYWXSADYCK-NXEZZACHSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95585226
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94809382
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 119434513
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
(2R,3R)-1-[2-(2,5-dichlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115150
(3S,6R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-6-methylpiperidine-3-carboxamide
CID 94482510
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
CID 60514412
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide (CID 94472229) is (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is BOZJHYWXSADYCK-NXEZZACHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-9-2-3-10(15(18)21)7-19(9)14(20)8-22-13-6-11(16)4-5-12(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H2,18,21)/t9-,10-/m1/s1.
What are the key properties of (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 94472229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).