3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C20H24N4O — CID 95280536

IUPAC3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C20H24N4O/c1-15-11-22-24(13-15)17-5-4-10-23(14-17)20(25)9-8-16-12-21-19-7-3-2-6-18(16)19/h2-3,6-7,11-13,17,21H,4-5,8-10,14H2,1H3/t17-/m0/s1
InChIKeySNPUDQZILDICCI-KRWDZBQOSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95280536) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95280536
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C20H24N4O/c1-15-11-22-24(13-15)17-5-4-10-23(14-17)20(25)9-8-16-12-21-19-7-3-2-6-18(16)19/h2-3,6-7,11-13,17,21H,4-5,8-10,14H2,1H3/t17-/m0/s1
InChIKeySNPUDQZILDICCI-KRWDZBQOSA-N
XLogP3.47
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
3-(7-methyl-1H-indol-3-yl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776604
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95289375

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 95280536) is 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is Cc1cnn([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SNPUDQZILDICCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-11-22-24(13-15)17-5-4-10-23(14-17)20(25)9-8-16-12-21-19-7-3-2-6-18(16)19/h2-3,6-7,11-13,17,21H,4-5,8-10,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95280536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).