4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C12H19N5O2 — CID 91839115

IUPAC4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESO=C(CCCN1CCCCC1=O)NCc1ncn[nH]1
InChIInChI=1S/C12H19N5O2/c18-11(13-8-10-14-9-15-16-10)4-3-7-17-6-2-1-5-12(17)19/h9H,1-8H2,(H,13,18)(H,14,15,16)
InChIKeyPBJOBFRFSWWDNE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.21
Rot. Bonds6

About 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 91839115) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID91839115
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESO=C(CCCN1CCCCC1=O)NCc1ncn[nH]1
InChIInChI=1S/C12H19N5O2/c18-11(13-8-10-14-9-15-16-10)4-3-7-17-6-2-1-5-12(17)19/h9H,1-8H2,(H,13,18)(H,14,15,16)
InChIKeyPBJOBFRFSWWDNE-UHFFFAOYSA-N
XLogP0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 91839115) is 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is O=C(CCCN1CCCCC1=O)NCc1ncn[nH]1.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is PBJOBFRFSWWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11(13-8-10-14-9-15-16-10)4-3-7-17-6-2-1-5-12(17)19/h9H,1-8H2,(H,13,18)(H,14,15,16).
What are the key properties of 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 265.32 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 91839115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).