1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C19H27ClN2O3 — CID 37459118

IUPAC1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C19H27ClN2O3/c1-13(2)21(3)19(23)14-4-6-22(7-5-14)10-15-8-17(20)9-16-11-24-12-25-18(15)16/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyCCOXURWEJVSZAB-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.29
Rot. Bonds4

About 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 37459118) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID37459118
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C19H27ClN2O3/c1-13(2)21(3)19(23)14-4-6-22(7-5-14)10-15-8-17(20)9-16-11-24-12-25-18(15)16/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyCCOXURWEJVSZAB-UHFFFAOYSA-N
XLogP3.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 31689095
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86912375
(4aR,8aR)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 124838924
1-[4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 8591474
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 32722422
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylazepan-4-ol
CID 107408304
N-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37219883
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 47012409
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-ethylpiperidine
CID 47006660
N-(5-chloro-2-hydroxyphenyl)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 112841794
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 37459118) is 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1.
What is the InChIKey of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CCOXURWEJVSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-13(2)21(3)19(23)14-4-6-22(7-5-14)10-15-8-17(20)9-16-11-24-12-25-18(15)16/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 37459118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).