formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one

C23H29N3O3 — CID 154919066

IUPACformic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(CCc1c[nH]c2ccccc12)N1CCC(c2cc[nH]c(=O)c2)CC1.O=CO
InChIInChI=1S/C22H27N3O.CH2O2/c1-16(6-7-19-15-24-21-5-3-2-4-20(19)21)25-12-9-17(10-13-25)18-8-11-23-22(26)14-18;2-1-3/h2-5,8,11,14-17,24H,6-7,9-10,12-13H2,1H3,(H,23,26);1H,(H,2,3)
InChIKeyZMBGNSFPQAHNDR-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.76
Rot. Bonds5

About formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one

formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 154919066) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameformic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID154919066
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameformic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCC(CCc1c[nH]c2ccccc12)N1CCC(c2cc[nH]c(=O)c2)CC1.O=CO
InChIInChI=1S/C22H27N3O.CH2O2/c1-16(6-7-19-15-24-21-5-3-2-4-20(19)21)25-12-9-17(10-13-25)18-8-11-23-22(26)14-18;2-1-3/h2-5,8,11,14-17,24H,6-7,9-10,12-13H2,1H3,(H,23,26);1H,(H,2,3)
InChIKeyZMBGNSFPQAHNDR-UHFFFAOYSA-N
XLogP3.76
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 126454153
8-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233132
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 156586557
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45161323
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
N-[(2S)-4-(1H-indol-3-yl)butan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 95221627
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
1-ethyl-8-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227519
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925653

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one (CID 154919066) is formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one is CC(CCc1c[nH]c2ccccc12)N1CCC(c2cc[nH]c(=O)c2)CC1.O=CO.
What is the InChIKey of formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is ZMBGNSFPQAHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.CH2O2/c1-16(6-7-19-15-24-21-5-3-2-4-20(19)21)25-12-9-17(10-13-25)18-8-11-23-22(26)14-18;2-1-3/h2-5,8,11,14-17,24H,6-7,9-10,12-13H2,1H3,(H,23,26);1H,(H,2,3).
What are the key properties of formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one?
formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 395.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 154919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).