N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide

C15H26N2O3 — CID 125417642

IUPACN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
SMILESCC1CCN(C[C@@H]2OC[C@H](NC(=O)C3CC3)[C@H]2O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-6-17(7-5-10)8-13-14(18)12(9-20-13)16-15(19)11-2-3-11/h10-14,18H,2-9H2,1H3,(H,16,19)/t12-,13-,14+/m0/s1
InChIKeyPPZVVRCAJGNAJH-MELADBBJSA-N
MW282.38 g/mol
LogP0.37
Rot. Bonds4

About N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide

N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide (PubChem CID 125417642) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
PubChem CID125417642
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
SMILESCC1CCN(C[C@@H]2OC[C@H](NC(=O)C3CC3)[C@H]2O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-6-17(7-5-10)8-13-14(18)12(9-20-13)16-15(19)11-2-3-11/h10-14,18H,2-9H2,1H3,(H,16,19)/t12-,13-,14+/m0/s1
InChIKeyPPZVVRCAJGNAJH-MELADBBJSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea
CID 125417649
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125416740
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
CID 125416685
N-[(3S,4R,5S)-4-hydroxy-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417669
4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
CID 162799447
N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]oxane-4-carboxamide
CID 162804971
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
CID 125417214
N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-ethylbutanamide
CID 162800007
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
CID 162844857
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422
N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
CID 125417147

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide (CID 125417642) is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide is CC1CCN(C[C@@H]2OC[C@H](NC(=O)C3CC3)[C@H]2O)CC1.
What is the InChIKey of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide?
The InChIKey is PPZVVRCAJGNAJH-MELADBBJSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-4-6-17(7-5-10)8-13-14(18)12(9-20-13)16-15(19)11-2-3-11/h10-14,18H,2-9H2,1H3,(H,16,19)/t12-,13-,14+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide?
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 125417642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).