(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride

C15H21ClN2O3 — CID 119679860

IUPAC(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1COc2ccccc2O1)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O3.ClH/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11;/h1-2,6-7,11-12,16H,3-5,8-10H2,(H,17,18);1H/t11?,12-;/m0./s1
InChIKeyJQBJZBRBDGLUML-MMFRDWCLSA-N
MW312.80 g/mol
LogP1.51
Rot. Bonds3

About (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119679860) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119679860
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1COc2ccccc2O1)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O3.ClH/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11;/h1-2,6-7,11-12,16H,3-5,8-10H2,(H,17,18);1H/t11?,12-;/m0./s1
InChIKeyJQBJZBRBDGLUML-MMFRDWCLSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266199
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119266213
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 16582894
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291099
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291108
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120783535
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
CID 2457171
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methylcyclohexyl)oxamide
CID 108525087
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride (CID 119679860) is (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1COc2ccccc2O1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is JQBJZBRBDGLUML-MMFRDWCLSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c18-15(12-5-3-4-8-16-12)17-9-11-10-19-13-6-1-2-7-14(13)20-11;/h1-2,6-7,11-12,16H,3-5,8-10H2,(H,17,18);1H/t11?,12-;/m0./s1.
What are the key properties of (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119679860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).