[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

C16H20N4O2 — CID 95583611

IUPAC[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCCO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-4-3-8-19(11-14)16(21)13-5-6-15(18-10-13)20-9-7-17-12-20/h5-7,9-10,12,14H,2-4,8,11H2,1H3/t14-/m0/s1
InChIKeyBTZNPWFQUQUIFT-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds4

About [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 95583611) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID95583611
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCCO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-4-3-8-19(11-14)16(21)13-5-6-15(18-10-13)20-9-7-17-12-20/h5-7,9-10,12,14H,2-4,8,11H2,1H3/t14-/m0/s1
InChIKeyBTZNPWFQUQUIFT-AWEZNQCLSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
CID 95303037
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 95583611) is [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is CCO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1.
What is the InChIKey of [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is BTZNPWFQUQUIFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-14-4-3-8-19(11-14)16(21)13-5-6-15(18-10-13)20-9-7-17-12-20/h5-7,9-10,12,14H,2-4,8,11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 95583611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).