1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide

C16H22N2O5 — CID 6926883

IUPAC1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H22N2O5/c17-16(20)11-3-5-18(6-4-11)8-12(19)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-2,7,11-12,19H,3-6,8-10H2,(H2,17,20)/t12-/m0/s1
InChIKeyQGRUAUFCYVMJJJ-LBPRGKRZSA-N
MW322.36 g/mol
LogP0.35
Rot. Bonds6

About 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide

1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 6926883) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID6926883
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H22N2O5/c17-16(20)11-3-5-18(6-4-11)8-12(19)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-2,7,11-12,19H,3-6,8-10H2,(H2,17,20)/t12-/m0/s1
InChIKeyQGRUAUFCYVMJJJ-LBPRGKRZSA-N
XLogP0.35
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yloxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53350591
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2134501
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]propan-2-ol
CID 1051437
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
CID 2884916
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 6603270
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
CID 16783727
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 42223925
1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
CID 3519556
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6591950

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide (CID 6926883) is 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide is NC(=O)C1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is QGRUAUFCYVMJJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O5/c17-16(20)11-3-5-18(6-4-11)8-12(19)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-2,7,11-12,19H,3-6,8-10H2,(H2,17,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide?
1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 6926883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).