N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide

C15H26N4O — CID 72890234

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(CNC(=O)CCCN2CCCCC2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-13-11-14(18(2)17-13)12-16-15(20)7-6-10-19-8-4-3-5-9-19/h11H,3-10,12H2,1-2H3,(H,16,20)
InChIKeyLYWKOSNYUFZOCK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72890234) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide
PubChem CID72890234
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(CNC(=O)CCCN2CCCCC2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-13-11-14(18(2)17-13)12-16-15(20)7-6-10-19-8-4-3-5-9-19/h11H,3-10,12H2,1-2H3,(H,16,20)
InChIKeyLYWKOSNYUFZOCK-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide (CID 72890234) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide is Cc1cc(CNC(=O)CCCN2CCCCC2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is LYWKOSNYUFZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-11-14(18(2)17-13)12-16-15(20)7-6-10-19-8-4-3-5-9-19/h11H,3-10,12H2,1-2H3,(H,16,20).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72890234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).