N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

C15H20Cl2N2O3 — CID 119944066

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CCCNC1.Cl
InChIInChI=1S/C15H19ClN2O3.ClH/c1-15(3-2-4-17-9-15)14(19)18-11-8-13-12(7-10(11)16)20-5-6-21-13;/h7-8,17H,2-6,9H2,1H3,(H,18,19);1H
InChIKeyDFTMSUUWSGXTJK-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.86
Rot. Bonds2

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944066) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944066
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CCCNC1.Cl
InChIInChI=1S/C15H19ClN2O3.ClH/c1-15(3-2-4-17-9-15)14(19)18-11-8-13-12(7-10(11)16)20-5-6-21-13;/h7-8,17H,2-6,9H2,1H3,(H,18,19);1H
InChIKeyDFTMSUUWSGXTJK-UHFFFAOYSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
CID 119944512
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 128747490
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 63129991

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944066) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2cc3c(cc2Cl)OCCO3)CCCNC1.Cl.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is DFTMSUUWSGXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3.ClH/c1-15(3-2-4-17-9-15)14(19)18-11-8-13-12(7-10(11)16)20-5-6-21-13;/h7-8,17H,2-6,9H2,1H3,(H,18,19);1H.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 347.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).