N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C23H30N4O2 — CID 56748004

IUPACN-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C23H30N4O2/c28-22(8-4-7-18-5-2-1-3-6-18)25-21-11-14-24-27(21)20-12-15-26(16-13-20)23(29)17-19-9-10-19/h1-3,5-6,11,14,19-20H,4,7-10,12-13,15-17H2,(H,25,28)
InChIKeyPUAAGBYSDGCEQD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.81
Rot. Bonds8

About N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 56748004) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID56748004
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C23H30N4O2/c28-22(8-4-7-18-5-2-1-3-6-18)25-21-11-14-24-27(21)20-12-15-26(16-13-20)23(29)17-19-9-10-19/h1-3,5-6,11,14,19-20H,4,7-10,12-13,15-17H2,(H,25,28)
InChIKeyPUAAGBYSDGCEQD-UHFFFAOYSA-N
XLogP3.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283
4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-(4-methyl-4-methylsulfanylpentan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 45241923
4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 45216230
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42404341
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 95207571

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 56748004) is N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is PUAAGBYSDGCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22(8-4-7-18-5-2-1-3-6-18)25-21-11-14-24-27(21)20-12-15-26(16-13-20)23(29)17-19-9-10-19/h1-3,5-6,11,14,19-20H,4,7-10,12-13,15-17H2,(H,25,28).
What are the key properties of N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 394.52 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 56748004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).