[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone

C25H29N3O3 — CID 165426261

IUPAC[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1)C1(CO)CCOCC1
InChIInChI=1S/C25H29N3O3/c29-19-24(11-16-31-17-12-24)23(30)27-14-9-25(10-15-27,20-6-2-1-3-7-20)21-18-28-13-5-4-8-22(28)26-21/h1-8,13,18,29H,9-12,14-17,19H2
InChIKeyLXKZIOQTWVFGFW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.03
Rot. Bonds4

About [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone

[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone (PubChem CID 165426261) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
PubChem CID165426261
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1)C1(CO)CCOCC1
InChIInChI=1S/C25H29N3O3/c29-19-24(11-16-31-17-12-24)23(30)27-14-9-25(10-15-27,20-6-2-1-3-7-20)21-18-28-13-5-4-8-22(28)26-21/h1-8,13,18,29H,9-12,14-17,19H2
InChIKeyLXKZIOQTWVFGFW-UHFFFAOYSA-N
XLogP3.03
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 165428931
4-amino-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)butan-1-one
CID 165427025
[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]urea
CID 165422883
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 165418563
1-[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 165420293
(3,5-dimethylimidazol-4-yl)-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
CID 165424431
N-[(2S)-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]acetamide
CID 165427245
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 165421420
5-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 165417844
N-[(4-carbamoyloxan-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56817800
2-[2-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-2-oxoethoxy]acetamide
CID 165426218
2-[1-[(1-ethylimidazol-2-yl)methyl]-4-phenylpiperidin-4-yl]imidazo[1,2-a]pyridine
CID 165418790

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone (CID 165426261) is [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone is O=C(N1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1)C1(CO)CCOCC1.
What is the InChIKey of [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is LXKZIOQTWVFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-19-24(11-16-31-17-12-24)23(30)27-14-9-25(10-15-27,20-6-2-1-3-7-20)21-18-28-13-5-4-8-22(28)26-21/h1-8,13,18,29H,9-12,14-17,19H2.
What are the key properties of [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone?
[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 419.53 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 165426261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).