(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C16H26N6O4 — CID 136817462

IUPAC(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C16H26N6O4/c23-14-3-2-12(15(24)17-10-13-18-16(25)20-19-13)11-22(14)5-1-4-21-6-8-26-9-7-21/h12H,1-11H2,(H,17,24)(H2,18,19,20,25)/t12-/m1/s1
InChIKeyVFGVBRHBBHRVMC-GFCCVEGCSA-N
MW366.42 g/mol
LogP-1.32
Rot. Bonds7

About (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 136817462) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID136817462
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C16H26N6O4/c23-14-3-2-12(15(24)17-10-13-18-16(25)20-19-13)11-22(14)5-1-4-21-6-8-26-9-7-21/h12H,1-11H2,(H,17,24)(H2,18,19,20,25)/t12-/m1/s1
InChIKeyVFGVBRHBBHRVMC-GFCCVEGCSA-N
XLogP-1.32
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}-1-(2-methoxyethyl)piperidin-2-one
CID 56720530
(5R)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 95226392
(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 95226393
1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 136218481
1-[3-(4-morpholinyl)propyl]-6-oxo-N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 136218506
(3R)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136817419
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136817420
(3S)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136817463
3-[1-(2-Morpholin-4-ylethyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137192260

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 136817462) is (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VFGVBRHBBHRVMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N6O4/c23-14-3-2-12(15(24)17-10-13-18-16(25)20-19-13)11-22(14)5-1-4-21-6-8-26-9-7-21/h12H,1-11H2,(H,17,24)(H2,18,19,20,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136817462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).