(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

C24H26N4O3 — CID 66552003

IUPAC(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3nccc(-c4ccccc4)n3)CC2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-19-8-9-20(22(16-19)31-2)23(29)28-14-11-18(12-15-28)26-24-25-13-10-21(27-24)17-6-4-3-5-7-17/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26,27)
InChIKeyMTCPDMQKGSPWEK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.88
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 66552003) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID66552003
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3nccc(-c4ccccc4)n3)CC2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-19-8-9-20(22(16-19)31-2)23(29)28-14-11-18(12-15-28)26-24-25-13-10-21(27-24)17-6-4-3-5-7-17/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26,27)
InChIKeyMTCPDMQKGSPWEK-UHFFFAOYSA-N
XLogP3.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
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(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111699
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 54583006
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 66552003) is (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Nc3nccc(-c4ccccc4)n3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is MTCPDMQKGSPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-19-8-9-20(22(16-19)31-2)23(29)28-14-11-18(12-15-28)26-24-25-13-10-21(27-24)17-6-4-3-5-7-17/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,25,26,27).
What are the key properties of (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 66552003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).