3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid

C16H27N5O3 — CID 95871976

IUPAC3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid
SMILESCn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCC(=O)O)C1
InChIInChI=1S/C16H27N5O3/c1-19-14(12-21-7-9-24-10-8-21)17-18-16(19)13-3-2-5-20(11-13)6-4-15(22)23/h13H,2-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyYNKNPQXKUPCFOP-CYBMUJFWSA-N
MW337.42 g/mol
LogP0.30
Rot. Bonds6

About 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid

3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid (PubChem CID 95871976) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid
PubChem CID95871976
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid
SMILESCn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCC(=O)O)C1
InChIInChI=1S/C16H27N5O3/c1-19-14(12-21-7-9-24-10-8-21)17-18-16(19)13-3-2-5-20(11-13)6-4-15(22)23/h13H,2-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyYNKNPQXKUPCFOP-CYBMUJFWSA-N
XLogP0.30
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid with MolForge

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Related Compounds

3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
CID 95869192
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
1-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95889176
2-hydroxy-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70739128
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224
4-[[5-[(3R)-1-(2-ethylsulfanylethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95861997
4-[[5-(1-cyclopropylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70724731
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391
1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 126440982
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
4-[[4-methyl-5-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95868982

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid (CID 95871976) is 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid is Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid?
The InChIKey is YNKNPQXKUPCFOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-19-14(12-21-7-9-24-10-8-21)17-18-16(19)13-3-2-5-20(11-13)6-4-15(22)23/h13H,2-12H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid?
3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid has a molecular weight of 337.42 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 95871976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).