2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

C22H27N5O — CID 11025244

IUPAC2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H27N5O/c1-15(18-3-5-19(23)6-4-18)22(28)26-11-8-17(9-12-26)14-27-16(2)25-20-13-24-10-7-21(20)27/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3
InChIKeyCUODURPWOISAGT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 11025244) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID11025244
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H27N5O/c1-15(18-3-5-19(23)6-4-18)22(28)26-11-8-17(9-12-26)14-27-16(2)25-20-13-24-10-7-21(20)27/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3
InChIKeyCUODURPWOISAGT-UHFFFAOYSA-N
XLogP3.36
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 11025244) is 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)C(C)c2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is CUODURPWOISAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(18-3-5-19(23)6-4-18)22(28)26-11-8-17(9-12-26)14-27-16(2)25-20-13-24-10-7-21(20)27/h3-7,10,13,15,17H,8-9,11-12,14,23H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 11025244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).