(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide

C15H18Cl2N2O2 — CID 95585226

IUPAC(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-9-2-3-11(15(18)21)8-19(9)14(20)6-10-4-5-12(16)7-13(10)17/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,18,21)/t9-,11-/m1/s1
InChIKeyACWHBMVNZQOSOT-MWLCHTKSSA-N
MW329.23 g/mol
LogP2.65
Rot. Bonds3

About (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95585226) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID95585226
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-9-2-3-11(15(18)21)8-19(9)14(20)6-10-4-5-12(16)7-13(10)17/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,18,21)/t9-,11-/m1/s1
InChIKeyACWHBMVNZQOSOT-MWLCHTKSSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
1-[2-(2-chloro-4-fluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113095
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
(3S,6R)-6-methyl-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94200571
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
CID 95585501
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
(3S,6R)-1-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95138876

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide (CID 95585226) is (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ACWHBMVNZQOSOT-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-9-2-3-11(15(18)21)8-19(9)14(20)6-10-4-5-12(16)7-13(10)17/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,18,21)/t9-,11-/m1/s1.
What are the key properties of (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95585226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).