N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C16H29N5O — CID 72872954

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C16H29N5O/c1-5-21-16(17-11-18-21)13(4)19-15(22)10-14-6-8-20(9-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,19,22)
InChIKeyZHKHBFDVHYXWNO-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.99
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72872954) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72872954
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C16H29N5O/c1-5-21-16(17-11-18-21)13(4)19-15(22)10-14-6-8-20(9-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,19,22)
InChIKeyZHKHBFDVHYXWNO-UHFFFAOYSA-N
XLogP1.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72872954) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is ZHKHBFDVHYXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-21-16(17-11-18-21)13(4)19-15(22)10-14-6-8-20(9-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72872954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).