1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one

C23H26N4O — CID 87011006

IUPAC1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cnn(-c2ccccc2)c1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(12-11-19-17-24-27(18-19)22-9-5-2-6-10-22)26-15-13-21(14-16-26)25-20-7-3-1-4-8-20/h1-10,17-18,21,25H,11-16H2
InChIKeyPLGYMWSOXAFGAZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one

1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 87011006) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID87011006
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cnn(-c2ccccc2)c1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(12-11-19-17-24-27(18-19)22-9-5-2-6-10-22)26-15-13-21(14-16-26)25-20-7-3-1-4-8-20/h1-10,17-18,21,25H,11-16H2
InChIKeyPLGYMWSOXAFGAZ-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119635459
N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
CID 55717821
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 94487032
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537547
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 71875363

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one (CID 87011006) is 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one is O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is PLGYMWSOXAFGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(12-11-19-17-24-27(18-19)22-9-5-2-6-10-22)26-15-13-21(14-16-26)25-20-7-3-1-4-8-20/h1-10,17-18,21,25H,11-16H2.
What are the key properties of 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one?
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 374.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 87011006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).