1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C17H27N5O2 — CID 70714073

IUPAC1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1cnnc1CCC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C17H27N5O2/c1-20-13-18-19-15(20)4-5-17(24)22-11-7-14(8-12-22)6-10-21-9-2-3-16(21)23/h13-14H,2-12H2,1H3
InChIKeyPBGAKLJZIKNAPD-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.00
Rot. Bonds6

About 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70714073) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70714073
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCn1cnnc1CCC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C17H27N5O2/c1-20-13-18-19-15(20)4-5-17(24)22-11-7-14(8-12-22)6-10-21-9-2-3-16(21)23/h13-14H,2-12H2,1H3
InChIKeyPBGAKLJZIKNAPD-UHFFFAOYSA-N
XLogP1.00
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70714073) is 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is Cn1cnnc1CCC(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is PBGAKLJZIKNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-13-18-19-15(20)4-5-17(24)22-11-7-14(8-12-22)6-10-21-9-2-3-16(21)23/h13-14H,2-12H2,1H3.
What are the key properties of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).