(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide

C15H20N2O3 — CID 126831875

IUPAC(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide
SMILESCc1cc2c(cc1NC(=O)[C@@H]1CCCCN1C)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-7-13-14(20-9-19-13)8-11(10)16-15(18)12-5-3-4-6-17(12)2/h7-8,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBAKNVOPOJWIJCO-LBPRGKRZSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds2

About (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide

(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide (PubChem CID 126831875) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide
PubChem CID126831875
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide
SMILESCc1cc2c(cc1NC(=O)[C@@H]1CCCCN1C)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-7-13-14(20-9-19-13)8-11(10)16-15(18)12-5-3-4-6-17(12)2/h7-8,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBAKNVOPOJWIJCO-LBPRGKRZSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 91667722
2-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977573
N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 3030441
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 129434161
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
2,2-dimethyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115163959
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
3-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]amino]propanoic acid
CID 122089234

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide (CID 126831875) is (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide is Cc1cc2c(cc1NC(=O)[C@@H]1CCCCN1C)OCO2.
What is the InChIKey of (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide?
The InChIKey is BAKNVOPOJWIJCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-13-14(20-9-19-13)8-11(10)16-15(18)12-5-3-4-6-17(12)2/h7-8,12H,3-6,9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide?
(2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)piperidine-2-carboxamide is sourced from PubChem (CID 126831875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).