1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one

C20H28N6O2 — CID 72927664

IUPAC1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H28N6O2/c1-23-10-5-16(13-18(23)27)20(28)26-11-6-15(7-12-26)19-22-21-17(24(19)2)14-25-8-3-4-9-25/h5,10,13,15H,3-4,6-9,11-12,14H2,1-2H3
InChIKeyDSNIKTQXDIDFAF-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.13
Rot. Bonds4

About 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one

1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 72927664) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one
PubChem CID72927664
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H28N6O2/c1-23-10-5-16(13-18(23)27)20(28)26-11-6-15(7-12-26)19-22-21-17(24(19)2)14-25-8-3-4-9-25/h5,10,13,15H,3-4,6-9,11-12,14H2,1-2H3
InChIKeyDSNIKTQXDIDFAF-UHFFFAOYSA-N
XLogP1.13
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 72920446
4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 70753601
[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 72908429
1-[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 72916711
[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
1-[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one
CID 72864159
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72853068
1-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72870073
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one (CID 72927664) is 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one is Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is DSNIKTQXDIDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-23-10-5-16(13-18(23)27)20(28)26-11-6-15(7-12-26)19-22-21-17(24(19)2)14-25-8-3-4-9-25/h5,10,13,15H,3-4,6-9,11-12,14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 72927664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).