(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

C22H26ClNO4 — CID 26324635

IUPAC(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cc(OC)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C22H26ClNO4/c1-26-18-11-20(27-2)19(21(12-18)28-3)14-24-9-5-7-16(13-24)22(25)15-6-4-8-17(23)10-15/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3/t16-/m1/s1
InChIKeyGPFWVZSWUJTBFM-MRXNPFEDSA-N
MW403.91 g/mol
LogP4.46
Rot. Bonds7

About (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 26324635) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID26324635
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cc(OC)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C22H26ClNO4/c1-26-18-11-20(27-2)19(21(12-18)28-3)14-24-9-5-7-16(13-24)22(25)15-6-4-8-17(23)10-15/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3/t16-/m1/s1
InChIKeyGPFWVZSWUJTBFM-MRXNPFEDSA-N
XLogP4.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
(3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25298707
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone (CID 26324635) is (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is COc1cc(OC)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1.
What is the InChIKey of (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is GPFWVZSWUJTBFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-26-18-11-20(27-2)19(21(12-18)28-3)14-24-9-5-7-16(13-24)22(25)15-6-4-8-17(23)10-15/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone?
(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 403.91 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 26324635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).