[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C16H20N4O2 — CID 97133000

IUPAC[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C16H20N4O2/c1-2-19-10-8-18-15(19)12-5-4-9-20(11-12)16(22)14-13(21)6-3-7-17-14/h3,6-8,10,12,21H,2,4-5,9,11H2,1H3/t12-/m0/s1
InChIKeyASTFRQJSGBEYQA-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds3

About [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 97133000) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID97133000
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C16H20N4O2/c1-2-19-10-8-18-15(19)12-5-4-9-20(11-12)16(22)14-13(21)6-3-7-17-14/h3,6-8,10,12,21H,2,4-5,9,11H2,1H3/t12-/m0/s1
InChIKeyASTFRQJSGBEYQA-LBPRGKRZSA-N
XLogP2.02
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240001
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 70738101
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128366
N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70739555
(3R)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128365

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 97133000) is [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is CCn1ccnc1[C@H]1CCCN(C(=O)c2ncccc2O)C1.
What is the InChIKey of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is ASTFRQJSGBEYQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-19-10-8-18-15(19)12-5-4-9-20(11-12)16(22)14-13(21)6-3-7-17-14/h3,6-8,10,12,21H,2,4-5,9,11H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 97133000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).