4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C17H29N9O — CID 70786272

IUPAC4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3
InChIKeyAAUPGSXJLRPSJC-UHFFFAOYSA-N
MW375.48 g/mol
LogP-0.10
Rot. Bonds7

About 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70786272) has the molecular formula C17H29N9O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70786272
Molecular FormulaC17H29N9O
Molecular Weight375.48 g/mol
Exact Mass375.25
IUPAC Name4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3
InChIKeyAAUPGSXJLRPSJC-UHFFFAOYSA-N
XLogP-0.10
TPSA90.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72848313
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-[[5-[(3S)-1-heptan-4-ylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896823
4-[[(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]morpholine
CID 124872517
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
4-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70716883
4-[[4-methyl-5-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860948
4-[[4-methyl-5-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860949
4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72842317
(5-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl}-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 77094632

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70786272) is 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1.
What is the InChIKey of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is AAUPGSXJLRPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3.
What are the key properties of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 375.48 g/mol, XLogP of -0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70786272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).