1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one

C17H21ClN2O — CID 84582617

IUPAC1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H21ClN2O/c1-11(2)17(21)20-7-5-12(6-8-20)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyBDXQNTWOQPYWBG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.18
Rot. Bonds2

About 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 84582617) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID84582617
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H21ClN2O/c1-11(2)17(21)20-7-5-12(6-8-20)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyBDXQNTWOQPYWBG-UHFFFAOYSA-N
XLogP4.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 113088846
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93077012
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 50816816
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 84582617) is 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BDXQNTWOQPYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)17(21)20-7-5-12(6-8-20)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-12,19H,5-8H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 304.82 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 84582617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).