2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide

C14H18N2O4 — CID 70722564

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H18N2O4/c17-11-7-15-4-3-10(11)16-14(18)6-9-1-2-12-13(5-9)20-8-19-12/h1-2,5,10-11,15,17H,3-4,6-8H2,(H,16,18)/t10-,11-/m1/s1
InChIKeyGHUITHXNCXRRIC-GHMZBOCLSA-N
MW278.31 g/mol
LogP-0.20
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide (PubChem CID 70722564) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
PubChem CID70722564
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H18N2O4/c17-11-7-15-4-3-10(11)16-14(18)6-9-1-2-12-13(5-9)20-8-19-12/h1-2,5,10-11,15,17H,3-4,6-8H2,(H,16,18)/t10-,11-/m1/s1
InChIKeyGHUITHXNCXRRIC-GHMZBOCLSA-N
XLogP-0.20
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119602507
2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
2-(1,3-benzodioxol-5-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 91770717
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(1,3-benzodioxol-5-yl)propanamide
CID 172667926
2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70753664

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide (CID 70722564) is 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide is O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
The InChIKey is GHUITHXNCXRRIC-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-7-15-4-3-10(11)16-14(18)6-9-1-2-12-13(5-9)20-8-19-12/h1-2,5,10-11,15,17H,3-4,6-8H2,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide has a molecular weight of 278.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide is sourced from PubChem (CID 70722564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).