N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

C17H24N6O — CID 122559836

IUPACN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyPVVDNLHRPJTVPH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds4

About N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide

N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 122559836) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID122559836
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyPVVDNLHRPJTVPH-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (CID 122559836) is N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is Cc1nccc(C2CCN(C(=O)NCC(C)n3ccnc3)CC2)n1.
What is the InChIKey of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is PVVDNLHRPJTVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(23-10-7-18-12-23)11-20-17(24)22-8-4-15(5-9-22)16-3-6-19-14(2)21-16/h3,6-7,10,12-13,15H,4-5,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122559836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).