1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide

C16H18ClN3O3 — CID 128988885

IUPAC1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C16H18ClN3O3/c1-9-13(11-7-10(17)3-4-12(11)19-9)14(21)20-6-2-5-16(23,8-20)15(18)22/h3-4,7,19,23H,2,5-6,8H2,1H3,(H2,18,22)
InChIKeyLKJVWPYMYSLOOH-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.58
Rot. Bonds2

About 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide

1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128988885) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128988885
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C16H18ClN3O3/c1-9-13(11-7-10(17)3-4-12(11)19-9)14(21)20-6-2-5-16(23,8-20)15(18)22/h3-4,7,19,23H,2,5-6,8H2,1H3,(H2,18,22)
InChIKeyLKJVWPYMYSLOOH-UHFFFAOYSA-N
XLogP1.58
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 167973827
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485947
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide (CID 128988885) is 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide is Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCCC(O)(C(N)=O)C1.
What is the InChIKey of 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is LKJVWPYMYSLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-9-13(11-7-10(17)3-4-12(11)19-9)14(21)20-6-2-5-16(23,8-20)15(18)22/h3-4,7,19,23H,2,5-6,8H2,1H3,(H2,18,22).
What are the key properties of 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide?
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128988885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).