(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone

C21H24ClNO3 — CID 42516133

IUPAC(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1OC
InChIInChI=1S/C21H24ClNO3/c1-25-19-9-8-15(11-20(19)26-2)13-23-10-4-6-17(14-23)21(24)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyHYXZSTRIWYKBJI-QGZVFWFLSA-N
MW373.88 g/mol
LogP4.45
Rot. Bonds6

About (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone

(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 42516133) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID42516133
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1OC
InChIInChI=1S/C21H24ClNO3/c1-25-19-9-8-15(11-20(19)26-2)13-23-10-4-6-17(14-23)21(24)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyHYXZSTRIWYKBJI-QGZVFWFLSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
(3-chlorophenyl)-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45240140
(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26324635
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone (CID 42516133) is (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone is COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1OC.
What is the InChIKey of (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is HYXZSTRIWYKBJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-25-19-9-8-15(11-20(19)26-2)13-23-10-4-6-17(14-23)21(24)16-5-3-7-18(22)12-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone?
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 373.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 42516133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).