(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

C19H32N2O3 — CID 138024911

IUPAC(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCN1CCC([C@@H]2OCC[C@H]2C(=O)NCC2(C3(O)CCC3)CC2)CC1
InChIInChI=1S/C19H32N2O3/c1-21-10-3-14(4-11-21)16-15(5-12-24-16)17(22)20-13-18(8-9-18)19(23)6-2-7-19/h14-16,23H,2-13H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyCAIIVWDPUZJXHK-CVEARBPZSA-N
MW336.48 g/mol
LogP1.54
Rot. Bonds5

About (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (PubChem CID 138024911) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
PubChem CID138024911
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCN1CCC([C@@H]2OCC[C@H]2C(=O)NCC2(C3(O)CCC3)CC2)CC1
InChIInChI=1S/C19H32N2O3/c1-21-10-3-14(4-11-21)16-15(5-12-24-16)17(22)20-13-18(8-9-18)19(23)6-2-7-19/h14-16,23H,2-13H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyCAIIVWDPUZJXHK-CVEARBPZSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128984585
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
(2R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100985
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100984
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
(2S)-1-ethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]pyrrolidine-2-carboxamide;formic acid
CID 154907703
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
2-cyclopentyloxolane-3-carboxylic acid
CID 79368495
(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167797506

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (CID 138024911) is (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is CN1CCC([C@@H]2OCC[C@H]2C(=O)NCC2(C3(O)CCC3)CC2)CC1.
What is the InChIKey of (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The InChIKey is CAIIVWDPUZJXHK-CVEARBPZSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-21-10-3-14(4-11-21)16-15(5-12-24-16)17(22)20-13-18(8-9-18)19(23)6-2-7-19/h14-16,23H,2-13H2,1H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 138024911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).