3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H22N4O2 — CID 70753116

IUPAC3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17-15(2-1-7-20-17)18(24)21-9-5-14(6-10-21)16-19-8-11-22(16)12-13-3-4-13/h1-2,7-8,11,13-14H,3-6,9-10,12H2,(H,20,23)
InChIKeyYVHKCPQWKCDZAV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds4

About 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70753116) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70753116
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17-15(2-1-7-20-17)18(24)21-9-5-14(6-10-21)16-19-8-11-22(16)12-13-3-4-13/h1-2,7-8,11,13-14H,3-6,9-10,12H2,(H,20,23)
InChIKeyYVHKCPQWKCDZAV-UHFFFAOYSA-N
XLogP2.00
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one
CID 134306163
4-[3-(2-Ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 56779745
3-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 56822586
3-[(1-methylimidazol-2-yl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 71915884
6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
1-Methyl-4-[3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72143158
5-({3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2,4(1H,3H)-pyrimidinedione
CID 72880829
3-{[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-6-methyl-2-pyridinol
CID 72904405
5-[1-[(1-Acetylpiperidin-3-yl)methyl]imidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 177647420
3-{4-[2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethyl]piperidine-1-carbonyl}-6-methylpyridin-2-OL
CID 124077660
1-methyl-2-oxo-N-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 71786555
6-({4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 72848557

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70753116) is 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is YVHKCPQWKCDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-15(2-1-7-20-17)18(24)21-9-5-14(6-10-21)16-19-8-11-22(16)12-13-3-4-13/h1-2,7-8,11,13-14H,3-6,9-10,12H2,(H,20,23).
What are the key properties of 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).