5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide

C19H23ClN4O3 — CID 3972917

IUPAC5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)CCC(=O)N2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN4O3/c1-23-15-6-5-14(20)11-13(15)12-16(23)19(27)22-21-17(25)7-8-18(26)24-9-3-2-4-10-24/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,27)
InChIKeyIYNJGAXFWJCJTG-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide

5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide (PubChem CID 3972917) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide
PubChem CID3972917
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)CCC(=O)N2CCCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN4O3/c1-23-15-6-5-14(20)11-13(15)12-16(23)19(27)22-21-17(25)7-8-18(26)24-9-3-2-4-10-24/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,27)
InChIKeyIYNJGAXFWJCJTG-UHFFFAOYSA-N
XLogP2.39
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
CID 146604568
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1-[(2S,3R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]piperidine-4-carboxylic acid
CID 40962869
1-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 4965731
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
3-[3-(azepan-1-yl)-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one
CID 9036821
methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088
1-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108547420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide?
The IUPAC name of 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide (CID 3972917) is 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide is Cn1c(C(=O)NNC(=O)CCC(=O)N2CCCCC2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide?
The InChIKey is IYNJGAXFWJCJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-23-15-6-5-14(20)11-13(15)12-16(23)19(27)22-21-17(25)7-8-18(26)24-9-3-2-4-10-24/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide?
5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide has a molecular weight of 390.87 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide is sourced from PubChem (CID 3972917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).