(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one

C18H29N5O4 — CID 95226393

IUPAC(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCCn1c(C2CCN(C(=O)[C@H]3CCC(=O)N(CCOC)C3)CC2)n[nH]c1=O
InChIInChI=1S/C18H29N5O4/c1-3-23-16(19-20-18(23)26)13-6-8-21(9-7-13)17(25)14-4-5-15(24)22(12-14)10-11-27-2/h13-14H,3-12H2,1-2H3,(H,20,26)/t14-/m0/s1
InChIKeyQZUPPZJXKWLNLI-AWEZNQCLSA-N
MW379.46 g/mol
LogP0.18
Rot. Bonds6

About (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one

(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 95226393) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
PubChem CID95226393
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCCn1c(C2CCN(C(=O)[C@H]3CCC(=O)N(CCOC)C3)CC2)n[nH]c1=O
InChIInChI=1S/C18H29N5O4/c1-3-23-16(19-20-18(23)26)13-6-8-21(9-7-13)17(25)14-4-5-15(24)22(12-14)10-11-27-2/h13-14H,3-12H2,1-2H3,(H,20,26)/t14-/m0/s1
InChIKeyQZUPPZJXKWLNLI-AWEZNQCLSA-N
XLogP0.18
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(3-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 56744871
2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 95205789
2-[(3S)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 95205790
(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
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
(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
6-({4-[(dimethylamino)methyl]-4-methoxy-1-piperidinyl}carbonyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 162630968

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of (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) is (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one is CCn1c(C2CCN(C(=O)[C@H]3CCC(=O)N(CCOC)C3)CC2)n[nH]c1=O.
What is the InChIKey of (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is QZUPPZJXKWLNLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-3-23-16(19-20-18(23)26)13-6-8-21(9-7-13)17(25)14-4-5-15(24)22(12-14)10-11-27-2/h13-14H,3-12H2,1-2H3,(H,20,26)/t14-/m0/s1.
What are the key properties of (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one?
(5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 95226393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).