N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide

C14H23N5O2 — CID 74240813

IUPACN,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(C3CCOC3)n[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(20)19-6-3-10(4-7-19)12-15-13(17-16-12)11-5-8-21-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyCXOSXBFRRODXCL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds2

About N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide (PubChem CID 74240813) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide
PubChem CID74240813
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(C3CCOC3)n[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(20)19-6-3-10(4-7-19)12-15-13(17-16-12)11-5-8-21-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyCXOSXBFRRODXCL-UHFFFAOYSA-N
XLogP1.17
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide (CID 74240813) is N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(C3CCOC3)n[nH]2)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide?
The InChIKey is CXOSXBFRRODXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)14(20)19-6-3-10(4-7-19)12-15-13(17-16-12)11-5-8-21-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 74240813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).