[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone

C24H26N4O — CID 167858619

IUPAC[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1-c1ccccc1
InChIInChI=1S/C24H26N4O/c1-17-9-10-20(16-21(17)18-6-3-2-4-7-18)24(29)27-14-11-19(12-15-27)23-26-25-22-8-5-13-28(22)23/h2-4,6-7,9-10,16,19H,5,8,11-15H2,1H3
InChIKeyYISPXXRFSKJHKX-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.22
Rot. Bonds3

About [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone

[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone (PubChem CID 167858619) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone
PubChem CID167858619
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1-c1ccccc1
InChIInChI=1S/C24H26N4O/c1-17-9-10-20(16-21(17)18-6-3-2-4-7-18)24(29)27-14-11-19(12-15-27)23-26-25-22-8-5-13-28(22)23/h2-4,6-7,9-10,16,19H,5,8,11-15H2,1H3
InChIKeyYISPXXRFSKJHKX-UHFFFAOYSA-N
XLogP4.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
CID 49195447
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 92595107
(4-phenylphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 16613326
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 75479285
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 56817989
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92594074
phenyl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 74659521
2-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 110235638
5,6-dimethyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70711804
1-[4-[7-(4-chlorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 92622785
5-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 167911206

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone (CID 167858619) is [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone is Cc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1-c1ccccc1.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone?
The InChIKey is YISPXXRFSKJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-9-10-20(16-21(17)18-6-3-2-4-7-18)24(29)27-14-11-19(12-15-27)23-26-25-22-8-5-13-28(22)23/h2-4,6-7,9-10,16,19H,5,8,11-15H2,1H3.
What are the key properties of [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone?
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(4-methyl-3-phenylphenyl)methanone is sourced from PubChem (CID 167858619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).