[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone

C17H22N6O — CID 53171940

IUPAC[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCCC1
InChIInChI=1S/C17H22N6O/c24-17(22-8-4-5-9-22)14-11-23(13-20-14)16-10-15(18-12-19-16)21-6-2-1-3-7-21/h10-13H,1-9H2
InChIKeyDQBOLJQHCQWUOW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.89
Rot. Bonds3

About [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone

[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53171940) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53171940
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCCC1
InChIInChI=1S/C17H22N6O/c24-17(22-8-4-5-9-22)14-11-23(13-20-14)16-10-15(18-12-19-16)21-6-2-1-3-7-21/h10-13H,1-9H2
InChIKeyDQBOLJQHCQWUOW-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172126
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172133
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
(1-methyltriazol-4-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342905
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345763
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974

Frequently Asked Questions

What is the IUPAC name of [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone (CID 53171940) is [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCCC1.
What is the InChIKey of [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DQBOLJQHCQWUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(22-8-4-5-9-22)14-11-23(13-20-14)16-10-15(18-12-19-16)21-6-2-1-3-7-21/h10-13H,1-9H2.
What are the key properties of [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53171940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).