[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone

C19H30N6O3 — CID 72930011

IUPAC[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CNC[C@@H](C(=O)N4CCOCC4)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N6O3/c1-13-21-17(23-22-13)14-2-4-24(5-3-14)18(26)15-10-16(12-20-11-15)19(27)25-6-8-28-9-7-25/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyAYEJIKBMNSBQJG-CVEARBPZSA-N
MW390.49 g/mol
LogP-0.10
Rot. Bonds3

About [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone

[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 72930011) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID72930011
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CNC[C@@H](C(=O)N4CCOCC4)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N6O3/c1-13-21-17(23-22-13)14-2-4-24(5-3-14)18(26)15-10-16(12-20-11-15)19(27)25-6-8-28-9-7-25/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyAYEJIKBMNSBQJG-CVEARBPZSA-N
XLogP-0.10
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
(3R*,5S*)-N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72839784
(3R*,5S*)-N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72854713
(3R*,5R*)-5-(morpholin-4-ylcarbonyl)-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 72871644
1-(2-methoxyethyl)-5-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-2-one
CID 74241633
(5S)-1-(2-methoxyethyl)-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-2-one
CID 97926274
1-(2-methoxyethyl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide
CID 119062386
1-(2-methoxyethyl)-6-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}piperidine-3-carboxamide
CID 119074621
(3R)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430593
(3S)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430594
(3R)-1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126453671
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126453672

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone (CID 72930011) is [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone is Cc1nc(C2CCN(C(=O)[C@H]3CNC[C@@H](C(=O)N4CCOCC4)C3)CC2)n[nH]1.
What is the InChIKey of [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is AYEJIKBMNSBQJG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-13-21-17(23-22-13)14-2-4-24(5-3-14)18(26)15-10-16(12-20-11-15)19(27)25-6-8-28-9-7-25/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1.
What are the key properties of [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone?
[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 72930011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).