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

C19H33N5O2 — CID 70736326

IUPAC4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H33N5O2/c1-15(2)4-5-18(25)24-8-6-16(7-9-24)19-21-20-17(22(19)3)14-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3
InChIKeyKHGFXWWEDUVRPX-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.79
Rot. Bonds6

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

4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one (PubChem CID 70736326) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one
PubChem CID70736326
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H33N5O2/c1-15(2)4-5-18(25)24-8-6-16(7-9-24)19-21-20-17(22(19)3)14-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3
InChIKeyKHGFXWWEDUVRPX-UHFFFAOYSA-N
XLogP1.79
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
CID 24817533
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53609283
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70708723
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(propoxyacetyl)piperidine
CID 70714643
4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
2-[({5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70740870
4-({1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoyl]-4-piperidinyl}methyl)morpholine
CID 70745281
2-[methyl({4-methyl-5-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70754917
4-({5-[1-(cyclopentylcarbonyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70757749
[3-[4-Methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 70766722

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one (CID 70736326) is 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is KHGFXWWEDUVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-15(2)4-5-18(25)24-8-6-16(7-9-24)19-21-20-17(22(19)3)14-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3.
What are the key properties of 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one?
4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 363.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 70736326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).