(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide

C19H26N4O3 — CID 97191126

IUPAC(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H26N4O3/c1-22(12-14-4-5-17-18(11-14)21-26-20-17)19(24)15-3-2-8-23(13-15)16-6-9-25-10-7-16/h4-5,11,15-16H,2-3,6-10,12-13H2,1H3/t15-/m1/s1
InChIKeyQFSGUSONNUVYSB-OAHLLOKOSA-N
MW358.44 g/mol
LogP2.07
Rot. Bonds4

About (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide

(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 97191126) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID97191126
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H26N4O3/c1-22(12-14-4-5-17-18(11-14)21-26-20-17)19(24)15-3-2-8-23(13-15)16-6-9-25-10-7-16/h4-5,11,15-16H,2-3,6-10,12-13H2,1H3/t15-/m1/s1
InChIKeyQFSGUSONNUVYSB-OAHLLOKOSA-N
XLogP2.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 125176171
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97206248
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
CID 74249390
(3R,6S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,1-dimethyl-6-(4-methylpentanoylamino)azepane-3-carboxamide
CID 176502898
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
CID 118774253
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-3-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 56860933
(3S)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 96580639
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide (CID 97191126) is (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCN(C2CCOCC2)C1.
What is the InChIKey of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is QFSGUSONNUVYSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(12-14-4-5-17-18(11-14)21-26-20-17)19(24)15-3-2-8-23(13-15)16-6-9-25-10-7-16/h4-5,11,15-16H,2-3,6-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide?
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97191126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).