(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone

C21H27N3O3 — CID 56861214

IUPAC(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-5-15-12-22-14(2)23-21(15)24-10-6-7-17(13-24)20(25)16-8-9-18(26-3)19(11-16)27-4/h8-9,11-12,17H,5-7,10,13H2,1-4H3
InChIKeyMWBXMBTWKYRAES-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.46
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 56861214) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID56861214
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-5-15-12-22-14(2)23-21(15)24-10-6-7-17(13-24)20(25)16-8-9-18(26-3)19(11-16)27-4/h8-9,11-12,17H,5-7,10,13H2,1-4H3
InChIKeyMWBXMBTWKYRAES-UHFFFAOYSA-N
XLogP3.46
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 95502493
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 56908817
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
CID 45219831

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 56861214) is (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone is CCc1cnc(C)nc1N1CCCC(C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is MWBXMBTWKYRAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-15-12-22-14(2)23-21(15)24-10-6-7-17(13-24)20(25)16-8-9-18(26-3)19(11-16)27-4/h8-9,11-12,17H,5-7,10,13H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 56861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).