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

C24H25N5O3 — CID 56676685

IUPAC4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C24H25N5O3/c1-32-21-10-6-5-9-20(21)22(30)17-15-25-23(26-16-17)27-19-11-13-29(14-12-19)24(31)28-18-7-3-2-4-8-18/h2-10,15-16,19H,11-14H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyGLKJQTNMWJVECB-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.82
Rot. Bonds6

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

4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 56676685) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID56676685
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C24H25N5O3/c1-32-21-10-6-5-9-20(21)22(30)17-15-25-23(26-16-17)27-19-11-13-29(14-12-19)24(31)28-18-7-3-2-4-8-18/h2-10,15-16,19H,11-14H2,1H3,(H,28,31)(H,25,26,27)
InChIKeyGLKJQTNMWJVECB-UHFFFAOYSA-N
XLogP3.82
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 56676685) is 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide is COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is GLKJQTNMWJVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-32-21-10-6-5-9-20(21)22(30)17-15-25-23(26-16-17)27-19-11-13-29(14-12-19)24(31)28-18-7-3-2-4-8-18/h2-10,15-16,19H,11-14H2,1H3,(H,28,31)(H,25,26,27).
What are the key properties of 4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.82, 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)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 56676685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).