N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide

C22H25ClN4O — CID 46981118

IUPACN-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(Cc2c(C)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C22H25ClN4O/c1-16-20(27-14-19(23)8-9-21(27)24-16)15-26-12-10-22(11-13-26,25-17(2)28)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyPDZANPFFMPSOHV-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.92
Rot. Bonds4

About N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 46981118) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID46981118
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(Cc2c(C)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C22H25ClN4O/c1-16-20(27-14-19(23)8-9-21(27)24-16)15-26-12-10-22(11-13-26,25-17(2)28)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28)
InChIKeyPDZANPFFMPSOHV-UHFFFAOYSA-N
XLogP3.92
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide (CID 46981118) is N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(Cc2c(C)nc3ccc(Cl)cn23)CC1.
What is the InChIKey of N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is PDZANPFFMPSOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-16-20(27-14-19(23)8-9-21(27)24-16)15-26-12-10-22(11-13-26,25-17(2)28)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 396.92 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 46981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).