4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide

C17H27N5O2 — CID 75463312

IUPAC4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H27N5O2/c1-2-9-18-14(23)5-6-15(24)22-10-7-13(8-11-22)17-19-16(20-21-17)12-3-4-12/h12-13H,2-11H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyUNICQNIJIUQDSM-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.69
Rot. Bonds7

About 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide

4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide (PubChem CID 75463312) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
PubChem CID75463312
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H27N5O2/c1-2-9-18-14(23)5-6-15(24)22-10-7-13(8-11-22)17-19-16(20-21-17)12-3-4-12/h12-13H,2-11H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyUNICQNIJIUQDSM-UHFFFAOYSA-N
XLogP1.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide with MolForge

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Related Compounds

1-acetyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 43051664
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-isobutylpyrrolidin-2-one
CID 50956691
N-cyclopropyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-ethylacetamide
CID 53585275
2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 53598093
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
CID 56917087
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
2-Cyclopentyl-1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]-1-ethanone
CID 53192195
cyclopentyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192204

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide (CID 75463312) is 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The InChIKey is UNICQNIJIUQDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-9-18-14(23)5-6-15(24)22-10-7-13(8-11-22)17-19-16(20-21-17)12-3-4-12/h12-13H,2-11H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide has a molecular weight of 333.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 75463312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).