4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide

C11H20N6O — CID 113412516

IUPAC4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCCn2ccnn2)CC1
InChIInChI=1S/C11H20N6O/c12-11(18)16-7-2-10(3-8-16)13-4-1-6-17-9-5-14-15-17/h5,9-10,13H,1-4,6-8H2,(H2,12,18)
InChIKeyRTLOKADSRLDPGV-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.20
Rot. Bonds5

About 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide

4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide (PubChem CID 113412516) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
PubChem CID113412516
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCCn2ccnn2)CC1
InChIInChI=1S/C11H20N6O/c12-11(18)16-7-2-10(3-8-16)13-4-1-6-17-9-5-14-15-17/h5,9-10,13H,1-4,6-8H2,(H2,12,18)
InChIKeyRTLOKADSRLDPGV-UHFFFAOYSA-N
XLogP-0.20
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-1,2,3-Triazol-1-YL)piperidine
CID 19006019
(3S)-N-cyclohexyl-3-(triazol-1-yl)pyrrolidine-1-carboxamide
CID 99987965
N-isopropyl-3-(1H-1,2,3-triazol-1-yl)azetidine-1-carboxamide
CID 121183846
1-[3-(1H-1,2,3-triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one
CID 126850623
N-[2-(triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104100451
N-[3-(triazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104443438
N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115348281
3-(triazol-1-ylmethyl)-N-[3-(trifluoromethyl)cyclobutyl]piperidine-1-carboxamide
CID 128417456
2,2,2-trifluoro-N-[4-(triazol-1-yl)piperidin-3-yl]acetamide
CID 130815163
2,2,2-trifluoro-N-[(3R,4S)-4-(triazol-1-yl)piperidin-3-yl]acetamide
CID 130996489
N-cyclohexyl-4-(1H-1,2,3-triazol-1-yl)piperidine-1-carboxamide
CID 76151005
N-tert-butyl-(S)-3-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinecarboxamide
CID 99877428

Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide (CID 113412516) is 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCCCn2ccnn2)CC1.
What is the InChIKey of 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide?
The InChIKey is RTLOKADSRLDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-11(18)16-7-2-10(3-8-16)13-4-1-6-17-9-5-14-15-17/h5,9-10,13H,1-4,6-8H2,(H2,12,18).
What are the key properties of 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide?
4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide is sourced from PubChem (CID 113412516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).