3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide

C16H28N6O2 — CID 95869192

IUPAC3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
SMILESCn1c(CN2CCOCC2)nnc1[C@H]1CCCN(CCC(N)=O)C1
InChIInChI=1S/C16H28N6O2/c1-20-15(12-22-7-9-24-10-8-22)18-19-16(20)13-3-2-5-21(11-13)6-4-14(17)23/h13H,2-12H2,1H3,(H2,17,23)/t13-/m0/s1
InChIKeyFRBSMUBPHJZXAV-ZDUSSCGKSA-N
MW336.44 g/mol
LogP-0.30
Rot. Bonds6

About 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide

3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide (PubChem CID 95869192) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
PubChem CID95869192
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
SMILESCn1c(CN2CCOCC2)nnc1[C@H]1CCCN(CCC(N)=O)C1
InChIInChI=1S/C16H28N6O2/c1-20-15(12-22-7-9-24-10-8-22)18-19-16(20)13-3-2-5-21(11-13)6-4-14(17)23/h13H,2-12H2,1H3,(H2,17,23)/t13-/m0/s1
InChIKeyFRBSMUBPHJZXAV-ZDUSSCGKSA-N
XLogP-0.30
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide (CID 95869192) is 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide is Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(CCC(N)=O)C1.
What is the InChIKey of 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The InChIKey is FRBSMUBPHJZXAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-20-15(12-22-7-9-24-10-8-22)18-19-16(20)13-3-2-5-21(11-13)6-4-14(17)23/h13H,2-12H2,1H3,(H2,17,23)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
3-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide has a molecular weight of 336.44 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-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95869192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).