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

C18H31N5O2 — CID 50954415

IUPAC1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCC(CCC(=O)N1CCC(Cc2nncn2C)CC1)N1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(22-9-11-25-12-10-22)3-4-18(24)23-7-5-16(6-8-23)13-17-20-19-14-21(17)2/h14-16H,3-13H2,1-2H3
InChIKeyOAXDCDXQCZYHEI-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.10
Rot. Bonds6

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

1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one (PubChem CID 50954415) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one
PubChem CID50954415
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCC(CCC(=O)N1CCC(Cc2nncn2C)CC1)N1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(22-9-11-25-12-10-22)3-4-18(24)23-7-5-16(6-8-23)13-17-20-19-14-21(17)2/h14-16H,3-13H2,1-2H3
InChIKeyOAXDCDXQCZYHEI-UHFFFAOYSA-N
XLogP1.10
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one?
The IUPAC name of 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one (CID 50954415) is 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one is CC(CCC(=O)N1CCC(Cc2nncn2C)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one?
The InChIKey is OAXDCDXQCZYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(22-9-11-25-12-10-22)3-4-18(24)23-7-5-16(6-8-23)13-17-20-19-14-21(17)2/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one?
1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one has a molecular weight of 349.48 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-4-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 50954415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).