N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide

C20H28N4O — CID 119700590

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C20H28N4O/c1-16(18-6-5-10-21-14-18)12-20(25)22-11-9-17-13-23-24(15-17)19-7-3-2-4-8-19/h2-4,7-8,13,15-16,18,21H,5-6,9-12,14H2,1H3,(H,22,25)
InChIKeyVBKRXDZJJJIYJD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119700590) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119700590
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C20H28N4O/c1-16(18-6-5-10-21-14-18)12-20(25)22-11-9-17-13-23-24(15-17)19-7-3-2-4-8-19/h2-4,7-8,13,15-16,18,21H,5-6,9-12,14H2,1H3,(H,22,25)
InChIKeyVBKRXDZJJJIYJD-UHFFFAOYSA-N
XLogP2.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728201
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide (CID 119700590) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CCCNC1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is VBKRXDZJJJIYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(18-6-5-10-21-14-18)12-20(25)22-11-9-17-13-23-24(15-17)19-7-3-2-4-8-19/h2-4,7-8,13,15-16,18,21H,5-6,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 340.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119700590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).