N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C14H22N4O2 — CID 176515432

IUPACN,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCNCC1)C2
InChIInChI=1S/C14H22N4O2/c1-17(2)13(19)12-10-9-20-14(4-6-15-7-5-14)8-11(10)18(3)16-12/h15H,4-9H2,1-3H3
InChIKeyNHYKSFJLHWIBAS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.32
Rot. Bonds1

About N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 176515432) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID176515432
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCNCC1)C2
InChIInChI=1S/C14H22N4O2/c1-17(2)13(19)12-10-9-20-14(4-6-15-7-5-14)8-11(10)18(3)16-12/h15H,4-9H2,1-3H3
InChIKeyNHYKSFJLHWIBAS-UHFFFAOYSA-N
XLogP0.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 176515432) is N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1COC1(CCNCC1)C2.
What is the InChIKey of N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is NHYKSFJLHWIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(2)13(19)12-10-9-20-14(4-6-15-7-5-14)8-11(10)18(3)16-12/h15H,4-9H2,1-3H3.
What are the key properties of N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 176515432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).