4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide

C25H27N5O3 — CID 56662971

IUPAC4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1C
InChIInChI=1S/C25H27N5O3/c1-17-21(23(31)20-10-6-7-11-22(20)33-2)16-26-24(27-17)28-19-12-14-30(15-13-19)25(32)29-18-8-4-3-5-9-18/h3-11,16,19H,12-15H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyIIZLZDGFYHHZIT-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.13
Rot. Bonds6

About 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide

4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 56662971) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID56662971
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1C
InChIInChI=1S/C25H27N5O3/c1-17-21(23(31)20-10-6-7-11-22(20)33-2)16-26-24(27-17)28-19-12-14-30(15-13-19)25(32)29-18-8-4-3-5-9-18/h3-11,16,19H,12-15H2,1-2H3,(H,29,32)(H,26,27,28)
InChIKeyIIZLZDGFYHHZIT-UHFFFAOYSA-N
XLogP4.13
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 56669862
2-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoacetamide
CID 141138886
1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one
CID 10069391
1-[4-[[4-amino-5-(2-methoxy-5-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 21070357
(4-amino-2-ethylsulfonylpyrimidin-5-yl)-(2-methoxyphenyl)methanone;ethyl 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;ethyl 4-aminopiperidine-1-carboxylate;methane
CID 161413266
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-diaminophosphorylpiperidine-1-carboxamide
CID 142676026
(4-amino-2-ethylsulfonylpyrimidin-5-yl)-(2-methoxyphenyl)methanone;tert-butyl 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate
CID 160997585
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 44783626
4-[[4-amino-5-(5-fluoro-2-methoxy-4-methylbenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 21070380
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 56662971) is 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide is COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1C.
What is the InChIKey of 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is IIZLZDGFYHHZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-21(23(31)20-10-6-7-11-22(20)33-2)16-26-24(27-17)28-19-12-14-30(15-13-19)25(32)29-18-8-4-3-5-9-18/h3-11,16,19H,12-15H2,1-2H3,(H,29,32)(H,26,27,28).
What are the key properties of 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methoxybenzoyl)-4-methylpyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 56662971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).