[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

C19H29N7O — CID 70728724

IUPAC[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C19H29N7O/c1-3-26-16(14-24-9-4-5-10-24)21-22-17(26)15-6-11-25(12-7-15)19(27)18-20-8-13-23(18)2/h8,13,15H,3-7,9-12,14H2,1-2H3
InChIKeyNYNAVCUFRDKDGD-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.65
Rot. Bonds5

About [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70728724) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70728724
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2nccn2C)CC1
InChIInChI=1S/C19H29N7O/c1-3-26-16(14-24-9-4-5-10-24)21-22-17(26)15-6-11-25(12-7-15)19(27)18-20-8-13-23(18)2/h8,13,15H,3-7,9-12,14H2,1-2H3
InChIKeyNYNAVCUFRDKDGD-UHFFFAOYSA-N
XLogP1.65
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72902885
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 70781308
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230
4-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70729924
[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 72934320
1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one
CID 72927664
2-cyclopropyl-1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72872849
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72904054
(1-methylimidazol-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99945320
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 70737667
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(5-methyl-1,3-thiazol-4-yl)methanone
CID 72911209

Frequently Asked Questions

What is the IUPAC name of [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 70728724) is [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2nccn2C)CC1.
What is the InChIKey of [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is NYNAVCUFRDKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-3-26-16(14-24-9-4-5-10-24)21-22-17(26)15-6-11-25(12-7-15)19(27)18-20-8-13-23(18)2/h8,13,15H,3-7,9-12,14H2,1-2H3.
What are the key properties of [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 371.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70728724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).