2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide

C18H29N5O2 — CID 97445254

IUPAC2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1[C@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-2-3-10-23-18(20-16(21-23)11-15(19)24)13-8-9-17(25)22(12-13)14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H2,19,24)/t13-/m0/s1
InChIKeyZGBYVSZUPXAWLQ-ZDUSSCGKSA-N
MW347.46 g/mol
LogP1.75
Rot. Bonds7

About 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 97445254) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide
PubChem CID97445254
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1[C@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-2-3-10-23-18(20-16(21-23)11-15(19)24)13-8-9-17(25)22(12-13)14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H2,19,24)/t13-/m0/s1
InChIKeyZGBYVSZUPXAWLQ-ZDUSSCGKSA-N
XLogP1.75
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide (CID 97445254) is 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1[C@H]1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZGBYVSZUPXAWLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-3-10-23-18(20-16(21-23)11-15(19)24)13-8-9-17(25)22(12-13)14-6-4-5-7-14/h13-14H,2-12H2,1H3,(H2,19,24)/t13-/m0/s1.
What are the key properties of 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).