[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone

C19H27N5O2 — CID 31017774

IUPAC[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCC1(C)CCCN1Cc1cn(C2CCN(C(=O)c3ccoc3)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-19(2)7-3-8-23(19)12-16-13-24(21-20-16)17-4-9-22(10-5-17)18(25)15-6-11-26-14-15/h6,11,13-14,17H,3-5,7-10,12H2,1-2H3
InChIKeyLXGKMPYUHPHBEX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.72
Rot. Bonds4

About [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone

[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 31017774) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID31017774
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCC1(C)CCCN1Cc1cn(C2CCN(C(=O)c3ccoc3)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-19(2)7-3-8-23(19)12-16-13-24(21-20-16)17-4-9-22(10-5-17)18(25)15-6-11-26-14-15/h6,11,13-14,17H,3-5,7-10,12H2,1-2H3
InChIKeyLXGKMPYUHPHBEX-UHFFFAOYSA-N
XLogP2.72
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

furan-3-yl-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891862
[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 31105407
furan-3-yl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757540
(2-methyloxolan-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890418
[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]-phenylmethanone
CID 71740503
1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
CID 46992068
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(furan-3-yl)methanone
CID 53016384
N-[(1-cyclobutyltriazol-4-yl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166418698
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone (CID 31017774) is [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is CC1(C)CCCN1Cc1cn(C2CCN(C(=O)c3ccoc3)CC2)nn1.
What is the InChIKey of [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LXGKMPYUHPHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2)7-3-8-23(19)12-16-13-24(21-20-16)17-4-9-22(10-5-17)18(25)15-6-11-26-14-15/h6,11,13-14,17H,3-5,7-10,12H2,1-2H3.
What are the key properties of [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 31017774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).