N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide

C15H26N4O — CID 72881466

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCc1cnn(CCNC(=O)CCCN2CCCCC2)c1
InChIInChI=1S/C15H26N4O/c1-14-12-17-19(13-14)11-7-16-15(20)6-5-10-18-8-3-2-4-9-18/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyTUJPQDXQWZSITH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide

N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide (PubChem CID 72881466) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide
PubChem CID72881466
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCc1cnn(CCNC(=O)CCCN2CCCCC2)c1
InChIInChI=1S/C15H26N4O/c1-14-12-17-19(13-14)11-7-16-15(20)6-5-10-18-8-3-2-4-9-18/h12-13H,2-11H2,1H3,(H,16,20)
InChIKeyTUJPQDXQWZSITH-UHFFFAOYSA-N
XLogP1.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide (CID 72881466) is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide is Cc1cnn(CCNC(=O)CCCN2CCCCC2)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide?
The InChIKey is TUJPQDXQWZSITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14-12-17-19(13-14)11-7-16-15(20)6-5-10-18-8-3-2-4-9-18/h12-13H,2-11H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide?
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72881466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).