1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

C22H27N5O2 — CID 154778740

IUPAC1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESCn1c(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c2n(c1=O)CCCC2
InChIInChI=1S/C22H27N5O2/c1-24-20(19-8-4-5-9-27(19)22(24)29)21(28)26-12-10-25(11-13-26)15-17-14-16-6-2-3-7-18(16)23-17/h2-3,6-7,14,23H,4-5,8-13,15H2,1H3
InChIKeyZDPDDQURFKPCDS-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.96
Rot. Bonds3

About 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 154778740) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID154778740
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESCn1c(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c2n(c1=O)CCCC2
InChIInChI=1S/C22H27N5O2/c1-24-20(19-8-4-5-9-27(19)22(24)29)21(28)26-12-10-25(11-13-26)15-17-14-16-6-2-3-7-18(16)23-17/h2-3,6-7,14,23H,4-5,8-13,15H2,1H3
InChIKeyZDPDDQURFKPCDS-UHFFFAOYSA-N
XLogP1.96
TPSA66.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
CID 155953233
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 166247184
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
2-[[4-(1H-indol-2-ylmethyl)piperazin-1-yl]methyl]-4-methylphenol
CID 155953195
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 154778740) is 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is Cn1c(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c2n(c1=O)CCCC2.
What is the InChIKey of 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is ZDPDDQURFKPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-24-20(19-8-4-5-9-27(19)22(24)29)21(28)26-12-10-25(11-13-26)15-17-14-16-6-2-3-7-18(16)23-17/h2-3,6-7,14,23H,4-5,8-13,15H2,1H3.
What are the key properties of 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 393.49 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 154778740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).