(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone

C15H17ClN2O — CID 98034370

IUPAC(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCNCC1
InChIInChI=1S/C15H17ClN2O/c1-9-14(15(19)10-4-6-17-7-5-10)12-3-2-11(16)8-13(12)18-9/h2-3,8,10,17-18H,4-7H2,1H3
InChIKeyVVGQOEVNSSSLSH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.31
Rot. Bonds2

About (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone

(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone (PubChem CID 98034370) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
PubChem CID98034370
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCNCC1
InChIInChI=1S/C15H17ClN2O/c1-9-14(15(19)10-4-6-17-7-5-10)12-3-2-11(16)8-13(12)18-9/h2-3,8,10,17-18H,4-7H2,1H3
InChIKeyVVGQOEVNSSSLSH-UHFFFAOYSA-N
XLogP3.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84639028
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
cyclopropyl-(2-methyl-5-propan-2-yl-1H-indol-3-yl)methanone
CID 82279215
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate
CID 70284823
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278454

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone (CID 98034370) is (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone is Cc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCNCC1.
What is the InChIKey of (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The InChIKey is VVGQOEVNSSSLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9-14(15(19)10-4-6-17-7-5-10)12-3-2-11(16)8-13(12)18-9/h2-3,8,10,17-18H,4-7H2,1H3.
What are the key properties of (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone has a molecular weight of 276.77 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 98034370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).