N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide

C15H26N4O — CID 72838842

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCC(NC(=O)CCCN1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C15H26N4O/c1-13(14-11-16-18(2)12-14)17-15(20)7-6-10-19-8-4-3-5-9-19/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyJGTIXUAUSZNUGJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide

N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide (PubChem CID 72838842) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
PubChem CID72838842
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCC(NC(=O)CCCN1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C15H26N4O/c1-13(14-11-16-18(2)12-14)17-15(20)7-6-10-19-8-4-3-5-9-19/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyJGTIXUAUSZNUGJ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide (CID 72838842) is N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide is CC(NC(=O)CCCN1CCCCC1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The InChIKey is JGTIXUAUSZNUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(14-11-16-18(2)12-14)17-15(20)7-6-10-19-8-4-3-5-9-19/h11-13H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).