1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one

C20H35N5O2 — CID 46982570

IUPAC1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCC(n2cc(CN3CCOC(C)(C)C3)nn2)CC1
InChIInChI=1S/C20H35N5O2/c1-5-16(2)12-19(26)24-8-6-18(7-9-24)25-14-17(21-22-25)13-23-10-11-27-20(3,4)15-23/h14,16,18H,5-13,15H2,1-4H3
InChIKeyCKWVPHHZFKUNRR-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.49
Rot. Bonds6

About 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one

1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 46982570) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
PubChem CID46982570
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Name1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCC(n2cc(CN3CCOC(C)(C)C3)nn2)CC1
InChIInChI=1S/C20H35N5O2/c1-5-16(2)12-19(26)24-8-6-18(7-9-24)25-14-17(21-22-25)13-23-10-11-27-20(3,4)15-23/h14,16,18H,5-13,15H2,1-4H3
InChIKeyCKWVPHHZFKUNRR-UHFFFAOYSA-N
XLogP2.49
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one with MolForge

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Related Compounds

4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
CID 31192314
(2-methyloxolan-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890418
1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 46994542
4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 30882220
2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
CID 45238120
5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 62964019
N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
CID 75259177
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051
[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 31017774
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one (CID 46982570) is 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCC(n2cc(CN3CCOC(C)(C)C3)nn2)CC1.
What is the InChIKey of 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is CKWVPHHZFKUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-5-16(2)12-19(26)24-8-6-18(7-9-24)25-14-17(21-22-25)13-23-10-11-27-20(3,4)15-23/h14,16,18H,5-13,15H2,1-4H3.
What are the key properties of 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one?
1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 377.53 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 46982570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).