4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C20H23N5O2 — CID 90540730

IUPAC4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)n(C2CC2)c1=O
InChIInChI=1S/C20H23N5O2/c1-23-20(27)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)19(26)16-12-21-17-5-3-2-4-15(16)17/h2-5,12-14,21H,6-11H2,1H3
InChIKeyPIPBINVVMODQAJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.42
Rot. Bonds3

About 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 90540730) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID90540730
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)n(C2CC2)c1=O
InChIInChI=1S/C20H23N5O2/c1-23-20(27)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)19(26)16-12-21-17-5-3-2-4-15(16)17/h2-5,12-14,21H,6-11H2,1H3
InChIKeyPIPBINVVMODQAJ-UHFFFAOYSA-N
XLogP2.42
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662
5-[1-(1H-indole-3-carbonyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540989
4-cyclopropyl-2-methyl-5-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540597
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592330
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114820
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 90540730) is 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is PIPBINVVMODQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-20(27)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)19(26)16-12-21-17-5-3-2-4-15(16)17/h2-5,12-14,21H,6-11H2,1H3.
What are the key properties of 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 365.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90540730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).