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

C18H29N7O — CID 70719999

IUPAC4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H29N7O/c1-22-7-5-19-16(22)13-25-6-3-4-15(12-25)18-21-20-17(23(18)2)14-24-8-10-26-11-9-24/h5,7,15H,3-4,6,8-14H2,1-2H3
InChIKeyBKDNFVNEGSVNAG-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.76
Rot. Bonds5

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

4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70719999) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70719999
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H29N7O/c1-22-7-5-19-16(22)13-25-6-3-4-15(12-25)18-21-20-17(23(18)2)14-24-8-10-26-11-9-24/h5,7,15H,3-4,6,8-14H2,1-2H3
InChIKeyBKDNFVNEGSVNAG-UHFFFAOYSA-N
XLogP0.76
TPSA64.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
4-[[4-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70766412
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358
4-[[4-methyl-5-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95868982
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
4-[[5-[(3R)-1-(2-ethylsulfanylethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95861997
3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid
CID 95871976
3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
CID 95869192
4-[[4-methyl-5-[(3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885484
4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896019
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70719999) is 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is BKDNFVNEGSVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-22-7-5-19-16(22)13-25-6-3-4-15(12-25)18-21-20-17(23(18)2)14-24-8-10-26-11-9-24/h5,7,15H,3-4,6,8-14H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).