N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

C17H28N2O5 — CID 25390346

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3CC3)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C17H28N2O5/c1-10-4-6-19(7-5-10)14(20)8-12-15(21)16(22)13(24-12)9-18-17(23)11-2-3-11/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t12-,13+,15-,16+/m0/s1
InChIKeyZRIJLSWCIDECBT-LQKXBSAESA-N
MW340.42 g/mol
LogP-0.35
Rot. Bonds5

About N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 25390346) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID25390346
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3CC3)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C17H28N2O5/c1-10-4-6-19(7-5-10)14(20)8-12-15(21)16(22)13(24-12)9-18-17(23)11-2-3-11/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t12-,13+,15-,16+/m0/s1
InChIKeyZRIJLSWCIDECBT-LQKXBSAESA-N
XLogP-0.35
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 25390346) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3CC3)[C@@H](O)[C@H]2O)CC1.
What is the InChIKey of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ZRIJLSWCIDECBT-LQKXBSAESA-N. The full InChI is InChI=1S/C17H28N2O5/c1-10-4-6-19(7-5-10)14(20)8-12-15(21)16(22)13(24-12)9-18-17(23)11-2-3-11/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t12-,13+,15-,16+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 340.42 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25390346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).