1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide

C14H25N5O2 — CID 63284386

IUPAC1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H25N5O2/c1-11(2)21-9-3-6-16-14(20)13-10-19(18-17-13)12-4-7-15-8-5-12/h10-12,15H,3-9H2,1-2H3,(H,16,20)
InChIKeyUVBOKDNPXVTHBL-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.75
Rot. Bonds7

About 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide (PubChem CID 63284386) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
PubChem CID63284386
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H25N5O2/c1-11(2)21-9-3-6-16-14(20)13-10-19(18-17-13)12-4-7-15-8-5-12/h10-12,15H,3-9H2,1-2H3,(H,16,20)
InChIKeyUVBOKDNPXVTHBL-UHFFFAOYSA-N
XLogP0.75
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-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

N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide (CID 63284386) is 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide is CC(C)OCCCNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide?
The InChIKey is UVBOKDNPXVTHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)21-9-3-6-16-14(20)13-10-19(18-17-13)12-4-7-15-8-5-12/h10-12,15H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 63284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).