N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C18H24N6O — CID 56764916

IUPACN-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C18H24N6O/c25-18(22-15-3-1-2-4-15)14-5-8-23(9-6-14)16-11-17(21-12-20-16)24-10-7-19-13-24/h7,10-15H,1-6,8-9H2,(H,22,25)
InChIKeyJYMGSZQUGZHLPQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.94
Rot. Bonds4

About N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 56764916) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID56764916
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C18H24N6O/c25-18(22-15-3-1-2-4-15)14-5-8-23(9-6-14)16-11-17(21-12-20-16)24-10-7-19-13-24/h7,10-15H,1-6,8-9H2,(H,22,25)
InChIKeyJYMGSZQUGZHLPQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 56764916) is N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is JYMGSZQUGZHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(22-15-3-1-2-4-15)14-5-8-23(9-6-14)16-11-17(21-12-20-16)24-10-7-19-13-24/h7,10-15H,1-6,8-9H2,(H,22,25).
What are the key properties of N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56764916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).