N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C22H27N5O — CID 121497168

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCc3cn4c(C)cccc4n3)CC2)c1
InChIInChI=1S/C22H27N5O/c1-17-5-3-7-19(13-17)15-25-9-11-26(12-10-25)22(28)23-14-20-16-27-18(2)6-4-8-21(27)24-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyNWPUHEZGQFCPSM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.98
Rot. Bonds4

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 121497168) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID121497168
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NCc3cn4c(C)cccc4n3)CC2)c1
InChIInChI=1S/C22H27N5O/c1-17-5-3-7-19(13-17)15-25-9-11-26(12-10-25)22(28)23-14-20-16-27-18(2)6-4-8-21(27)24-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyNWPUHEZGQFCPSM-UHFFFAOYSA-N
XLogP2.98
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
(2R)-1-benzyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]azetidine-2-carboxamide
CID 124741418
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 60569660
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 60593302
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 121497168) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)NCc3cn4c(C)cccc4n3)CC2)c1.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NWPUHEZGQFCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-5-3-7-19(13-17)15-25-9-11-26(12-10-25)22(28)23-14-20-16-27-18(2)6-4-8-21(27)24-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,28).
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 121497168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).