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

C17H31N5O — CID 72941163

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyKCRODSPPXLVDSP-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.38
Rot. Bonds7

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

2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72941163) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72941163
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyKCRODSPPXLVDSP-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
N-cyclopentyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53621133
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56913790
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-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72941163) is 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is KCRODSPPXLVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 321.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72941163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).