N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide

C15H26N4O — CID 115990066

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cn(C)nc2C)CCCNC1
InChIInChI=1S/C15H26N4O/c1-4-6-15(7-5-8-16-11-15)14(20)17-9-13-10-19(3)18-12(13)2/h10,16H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyGQLPALMCJUYAOJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 115990066) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID115990066
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cn(C)nc2C)CCCNC1
InChIInChI=1S/C15H26N4O/c1-4-6-15(7-5-8-16-11-15)14(20)17-9-13-10-19(3)18-12(13)2/h10,16H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyGQLPALMCJUYAOJ-UHFFFAOYSA-N
XLogP1.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide (CID 115990066) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2cn(C)nc2C)CCCNC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is GQLPALMCJUYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-15(7-5-8-16-11-15)14(20)17-9-13-10-19(3)18-12(13)2/h10,16H,4-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 115990066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).