(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone

C21H27N3O3 — CID 95502493

IUPAC(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCCc1cncnc1N1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-4-6-16-12-22-14-23-21(16)24-10-5-7-17(13-24)20(25)15-8-9-18(26-2)19(11-15)27-3/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3/t17-/m1/s1
InChIKeyYZDAUBNXESRBQD-QGZVFWFLSA-N
MW369.47 g/mol
LogP3.55
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 95502493) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID95502493
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCCCc1cncnc1N1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-4-6-16-12-22-14-23-21(16)24-10-5-7-17(13-24)20(25)15-8-9-18(26-2)19(11-15)27-3/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3/t17-/m1/s1
InChIKeyYZDAUBNXESRBQD-QGZVFWFLSA-N
XLogP3.55
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
(3,4-dimethoxyphenyl)-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanone
CID 95556864
4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine
CID 95722782
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42192818
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
(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-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanone
CID 72908092
(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
CID 45219831
3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42346806

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 95502493) is (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone is CCCc1cncnc1N1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is YZDAUBNXESRBQD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-6-16-12-22-14-23-21(16)24-10-5-7-17(13-24)20(25)15-8-9-18(26-2)19(11-15)27-3/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3R)-1-(5-propylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 95502493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).