(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide

C16H21N3O4 — CID 95135179

IUPAC(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H21N3O4/c1-11(20)18-13-3-2-6-19(9-13)16(21)17-8-12-4-5-14-15(7-12)23-10-22-14/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,21)(H,18,20)/t13-/m1/s1
InChIKeyVTBSZVPZGGDRQL-CYBMUJFWSA-N
MW319.36 g/mol
LogP1.23
Rot. Bonds3

About (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide

(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide (PubChem CID 95135179) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
PubChem CID95135179
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H21N3O4/c1-11(20)18-13-3-2-6-19(9-13)16(21)17-8-12-4-5-14-15(7-12)23-10-22-14/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,21)(H,18,20)/t13-/m1/s1
InChIKeyVTBSZVPZGGDRQL-CYBMUJFWSA-N
XLogP1.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 51961786
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929
(3R)-3-acetamido-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 94820143
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(1,3-benzodioxol-5-ylmethyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38268339
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75437353
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615
N-(1,3-benzodioxol-5-ylmethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 38221399
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide (CID 95135179) is (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide is CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1.
What is the InChIKey of (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VTBSZVPZGGDRQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(20)18-13-3-2-6-19(9-13)16(21)17-8-12-4-5-14-15(7-12)23-10-22-14/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,17,21)(H,18,20)/t13-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95135179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).