(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide

C17H28N6O3 — CID 95223552

IUPAC(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCCn1c(CC2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)nn(C)c1=O
InChIInChI=1S/C17H28N6O3/c1-3-22-14(19-20(2)17(22)26)11-12-6-9-21(10-7-12)15(24)13-5-4-8-23(13)16(18)25/h12-13H,3-11H2,1-2H3,(H2,18,25)/t13-/m0/s1
InChIKeyVUVRZXNUKMNURL-ZDUSSCGKSA-N
MW364.45 g/mol
LogP-0.07
Rot. Bonds4

About (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide

(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 95223552) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID95223552
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCCn1c(CC2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)nn(C)c1=O
InChIInChI=1S/C17H28N6O3/c1-3-22-14(19-20(2)17(22)26)11-12-6-9-21(10-7-12)15(24)13-5-4-8-23(13)16(18)25/h12-13H,3-11H2,1-2H3,(H2,18,25)/t13-/m0/s1
InChIKeyVUVRZXNUKMNURL-ZDUSSCGKSA-N
XLogP-0.07
TPSA106.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{2-[3-(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
CID 56707421
4-cyclopropyl-1-methyl-3-{1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 163343759
5-{1-[(1-allylpyrrolidin-2-yl)carbonyl]piperidin-4-yl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56750448
2-Ethyl-5-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 141675810
4-ethyl-2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50958883
1-(2-{4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 50963826
1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-2-carboxamide
CID 55858717
4-ethyl-5-{1-[(1-pyrrolidin-1-ylcyclopentyl)carbonyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56708204
1-{2-[4-(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
CID 56716433
4-ethyl-3-[1-(1-methylsulfonylpyrrolidine-2-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56717465
2-({4-[(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
CID 56719422
5-[2-[4-(4-Ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 56721518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide (CID 95223552) is (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide is CCn1c(CC2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)nn(C)c1=O.
What is the InChIKey of (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is VUVRZXNUKMNURL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-3-22-14(19-20(2)17(22)26)11-12-6-9-21(10-7-12)15(24)13-5-4-8-23(13)16(18)25/h12-13H,3-11H2,1-2H3,(H2,18,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide?
(2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95223552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).