5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride

C20H25Cl3N2O3 — CID 18914994

IUPAC5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1CC(C(=O)N2CCCCC2CN2CCOCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H24Cl2N2O3.ClH/c21-17-9-14-15(10-18(17)22)19(25)11-16(14)20(26)24-4-2-1-3-13(24)12-23-5-7-27-8-6-23;/h9-10,13,16H,1-8,11-12H2;1H
InChIKeyPYOAKARIFIERMU-UHFFFAOYSA-N
MW447.79 g/mol
LogP3.80
Rot. Bonds3

About 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride

5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 18914994) has the molecular formula C20H25Cl3N2O3 and a molecular weight of 447.79 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
PubChem CID18914994
Molecular FormulaC20H25Cl3N2O3
Molecular Weight447.79 g/mol
Exact Mass446.09
IUPAC Name5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1CC(C(=O)N2CCCCC2CN2CCOCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H24Cl2N2O3.ClH/c21-17-9-14-15(10-18(17)22)19(25)11-16(14)20(26)24-4-2-1-3-13(24)12-23-5-7-27-8-6-23;/h9-10,13,16H,1-8,11-12H2;1H
InChIKeyPYOAKARIFIERMU-UHFFFAOYSA-N
XLogP3.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride with MolForge

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Related Compounds

(3S)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
CID 67720494
(3R)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132410
5,6-dichloro-3-[2-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 18915180
6,7-dichloro-4-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18915106
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 125179954
4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15132423
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 11315337
[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 71931782
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride (CID 18914994) is 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride is Cl.O=C1CC(C(=O)N2CCCCC2CN2CCOCC2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is PYOAKARIFIERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3.ClH/c21-17-9-14-15(10-18(17)22)19(25)11-16(14)20(26)24-4-2-1-3-13(24)12-23-5-7-27-8-6-23;/h9-10,13,16H,1-8,11-12H2;1H.
What are the key properties of 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride?
5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 447.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 18914994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).