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

C15H24N6O4 — CID 136817420

IUPAC(3S)-1-(2-morpholin-4-ylethyl)-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(CCN2CCOCC2)C1
InChIInChI=1S/C15H24N6O4/c22-13-2-1-11(14(23)16-9-12-17-15(24)19-18-12)10-21(13)4-3-20-5-7-25-8-6-20/h11H,1-10H2,(H,16,23)(H2,17,18,19,24)/t11-/m0/s1
InChIKeyPULSYEFKLGFFOU-NSHDSACASA-N
MW352.40 g/mol
LogP-1.72
Rot. Bonds6

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

(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 136817420) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID136817420
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Name(3S)-1-(2-morpholin-4-ylethyl)-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(CCN2CCOCC2)C1
InChIInChI=1S/C15H24N6O4/c22-13-2-1-11(14(23)16-9-12-17-15(24)19-18-12)10-21(13)4-3-20-5-7-25-8-6-20/h11H,1-10H2,(H,16,23)(H2,17,18,19,24)/t11-/m0/s1
InChIKeyPULSYEFKLGFFOU-NSHDSACASA-N
XLogP-1.72
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(2-morpholin-4-ylethyl)-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
(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
(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
3-[1-(2-Methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137199419
3-[(3R)-1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242372
3-[(3S)-1-(2-methyl-2-morpholin-4-ylpropanoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242373

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (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) is (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-morpholin-4-ylethyl)-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(CCN2CCOCC2)C1.
What is the InChIKey of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PULSYEFKLGFFOU-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N6O4/c22-13-2-1-11(14(23)16-9-12-17-15(24)19-18-12)10-21(13)4-3-20-5-7-25-8-6-20/h11H,1-10H2,(H,16,23)(H2,17,18,19,24)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of -1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136817420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).