[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone

C24H24N4O — CID 56754434

IUPAC[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1
InChIInChI=1S/C24H24N4O/c29-24(21-16-25-22-9-5-4-8-20(21)22)28-12-10-18(11-13-28)23-19(15-26-27-23)14-17-6-2-1-3-7-17/h1-9,15-16,18,25H,10-14H2,(H,26,27)
InChIKeyHNPKSNNBMLPEEM-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.50
Rot. Bonds4

About [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone

[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 56754434) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID56754434
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1
InChIInChI=1S/C24H24N4O/c29-24(21-16-25-22-9-5-4-8-20(21)22)28-12-10-18(11-13-28)23-19(15-26-27-23)14-17-6-2-1-3-7-17/h1-9,15-16,18,25H,10-14H2,(H,26,27)
InChIKeyHNPKSNNBMLPEEM-UHFFFAOYSA-N
XLogP4.50
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 126463692
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599169
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95204664
1H-indol-3-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 73169009
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone (CID 56754434) is [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1.
What is the InChIKey of [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is HNPKSNNBMLPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(21-16-25-22-9-5-4-8-20(21)22)28-12-10-18(11-13-28)23-19(15-26-27-23)14-17-6-2-1-3-7-17/h1-9,15-16,18,25H,10-14H2,(H,26,27).
What are the key properties of [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 56754434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).