2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H29N5O4 — CID 121069975

IUPAC2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NCC2CCCO2)c1=O
InChIInChI=1S/C19H29N5O4/c1-22-17(13-6-8-23(9-7-13)18(26)14-4-5-14)21-24(19(22)27)12-16(25)20-11-15-3-2-10-28-15/h13-15H,2-12H2,1H3,(H,20,25)
InChIKeyYVHFFUPQQRSVIX-UHFFFAOYSA-N
MW391.47 g/mol
LogP-0.01
Rot. Bonds6

About 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 121069975) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID121069975
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NCC2CCCO2)c1=O
InChIInChI=1S/C19H29N5O4/c1-22-17(13-6-8-23(9-7-13)18(26)14-4-5-14)21-24(19(22)27)12-16(25)20-11-15-3-2-10-28-15/h13-15H,2-12H2,1H3,(H,20,25)
InChIKeyYVHFFUPQQRSVIX-UHFFFAOYSA-N
XLogP-0.01
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 44070870
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 50973452
2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30864430
2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30864435
3-[1-[[4-[2-(2-Methylpropylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-(oxolan-2-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide
CID 43047296
2-(4-methyl-3-(1-(methylsulfonyl)piperidin-3-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 44071043
4-ethyl-5-(4-piperidinyl)-2-(tetrahydro-2-furanylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50972091
2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 90542975
4-ethyl-2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 95133281
4-ethyl-2-[[(2R)-oxolan-2-yl]methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 95133282
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95135452
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95135453

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 121069975) is 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NCC2CCCO2)c1=O.
What is the InChIKey of 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YVHFFUPQQRSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-22-17(13-6-8-23(9-7-13)18(26)14-4-5-14)21-24(19(22)27)12-16(25)20-11-15-3-2-10-28-15/h13-15H,2-12H2,1H3,(H,20,25).
What are the key properties of 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 121069975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).