1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

C16H25N5O2 — CID 72902958

IUPAC1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCn1ncnc1CCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-20-14(18-11-19-20)5-8-17-15(22)12-6-9-21(10-7-12)16(23)13-3-2-4-13/h11-13H,2-10H2,1H3,(H,17,22)
InChIKeyBPPKGOHXEWVWLU-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.51
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72902958) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID72902958
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCn1ncnc1CCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-20-14(18-11-19-20)5-8-17-15(22)12-6-9-21(10-7-12)16(23)13-3-2-4-13/h11-13H,2-10H2,1H3,(H,17,22)
InChIKeyBPPKGOHXEWVWLU-UHFFFAOYSA-N
XLogP0.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
Piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 72902958) is 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is Cn1ncnc1CCNC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is BPPKGOHXEWVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-20-14(18-11-19-20)5-8-17-15(22)12-6-9-21(10-7-12)16(23)13-3-2-4-13/h11-13H,2-10H2,1H3,(H,17,22).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72902958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).