[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C14H23N5O2 — CID 163351854

IUPAC[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncnc1CN1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-13(15-11-16-17)10-18-4-2-3-12(9-18)14(20)19-5-7-21-8-6-19/h11-12H,2-10H2,1H3
InChIKeyPERLDTLZUFXHRE-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.11
Rot. Bonds3

About [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163351854) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163351854
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncnc1CN1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-13(15-11-16-17)10-18-4-2-3-12(9-18)14(20)19-5-7-21-8-6-19/h11-12H,2-10H2,1H3
InChIKeyPERLDTLZUFXHRE-UHFFFAOYSA-N
XLogP-0.11
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 86831548
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea
CID 166605056
[(3S)-1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 97332169
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
3-(bromomethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80680575

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 163351854) is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cn1ncnc1CN1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PERLDTLZUFXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-13(15-11-16-17)10-18-4-2-3-12(9-18)14(20)19-5-7-21-8-6-19/h11-12H,2-10H2,1H3.
What are the key properties of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 293.37 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163351854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).