formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone

C27H34N4O6 — CID 166599445

IUPACformic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone
SMILESCc1cccn2cc(C3(c4ccccc4)CCN(C(=O)[C@H]4COCCN4C)CC3)nc12.O=CO.O=CO
InChIInChI=1S/C25H30N4O2.2CH2O2/c1-19-7-6-12-29-17-22(26-23(19)29)25(20-8-4-3-5-9-20)10-13-28(14-11-25)24(30)21-18-31-16-15-27(21)2;2*2-1-3/h3-9,12,17,21H,10-11,13-16,18H2,1-2H3;2*1H,(H,2,3)/t21-;;/m1../s1
InChIKeyCVLJMPWKSKKIMZ-GHVWMZMZSA-N
MW510.59 g/mol
LogP2.28
Rot. Bonds3

About formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone

formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone (PubChem CID 166599445) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Nameformic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone
PubChem CID166599445
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC Nameformic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone
SMILESCc1cccn2cc(C3(c4ccccc4)CCN(C(=O)[C@H]4COCCN4C)CC3)nc12.O=CO.O=CO
InChIInChI=1S/C25H30N4O2.2CH2O2/c1-19-7-6-12-29-17-22(26-23(19)29)25(20-8-4-3-5-9-20)10-13-28(14-11-25)24(30)21-18-31-16-15-27(21)2;2*2-1-3/h3-9,12,17,21H,10-11,13-16,18H2,1-2H3;2*1H,(H,2,3)/t21-;;/m1../s1
InChIKeyCVLJMPWKSKKIMZ-GHVWMZMZSA-N
XLogP2.28
TPSA124.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone?
The IUPAC name of formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone (CID 166599445) is formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone.
What is the SMILES notation for formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone?
The canonical SMILES for formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone is Cc1cccn2cc(C3(c4ccccc4)CCN(C(=O)[C@H]4COCCN4C)CC3)nc12.O=CO.O=CO.
What is the InChIKey of formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone?
The InChIKey is CVLJMPWKSKKIMZ-GHVWMZMZSA-N. The full InChI is InChI=1S/C25H30N4O2.2CH2O2/c1-19-7-6-12-29-17-22(26-23(19)29)25(20-8-4-3-5-9-20)10-13-28(14-11-25)24(30)21-18-31-16-15-27(21)2;2*2-1-3/h3-9,12,17,21H,10-11,13-16,18H2,1-2H3;2*1H,(H,2,3)/t21-;;/m1../s1.
What are the key properties of formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone?
formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone has a molecular weight of 510.59 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 166599445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).