1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride

C21H28ClN3O2 — CID 167985225

IUPAC1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride
SMILESCC(=O)C1CCCN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)C1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-14(25)17-3-2-10-24(13-17)21(26)16-4-5-20-18(11-16)19(12-23-20)15-6-8-22-9-7-15;/h4-5,11-12,15,17,22-23H,2-3,6-10,13H2,1H3;1H
InChIKeyVJCXEJFEQSQDBX-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride

1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride (PubChem CID 167985225) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride
PubChem CID167985225
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride
SMILESCC(=O)C1CCCN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)C1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-14(25)17-3-2-10-24(13-17)21(26)16-4-5-20-18(11-16)19(12-23-20)15-6-8-22-9-7-15;/h4-5,11-12,15,17,22-23H,2-3,6-10,13H2,1H3;1H
InChIKeyVJCXEJFEQSQDBX-UHFFFAOYSA-N
XLogP3.50
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride with MolForge

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Related Compounds

ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate
CID 167824012
[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]piperidin-1-yl]-(3-piperidin-4-yl-1H-indol-5-yl)methanone
CID 167751656
(3-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361860
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566145
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride (CID 167985225) is 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride is CC(=O)C1CCCN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)C1.Cl.
What is the InChIKey of 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride?
The InChIKey is VJCXEJFEQSQDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-14(25)17-3-2-10-24(13-17)21(26)16-4-5-20-18(11-16)19(12-23-20)15-6-8-22-9-7-15;/h4-5,11-12,15,17,22-23H,2-3,6-10,13H2,1H3;1H.
What are the key properties of 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride?
1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 167985225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).