(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

C16H27N3O3 — CID 128984585

IUPAC(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)C1
InChIInChI=1S/C16H27N3O3/c1-11(20)19-9-13(10-19)17-16(21)14-5-8-22-15(14)12-3-6-18(2)7-4-12/h12-15H,3-10H2,1-2H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyPGYNLYBABOFBFJ-LSDHHAIUSA-N
MW309.41 g/mol
LogP0.08
Rot. Bonds3

About (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (PubChem CID 128984585) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
PubChem CID128984585
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCC(=O)N1CC(NC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)C1
InChIInChI=1S/C16H27N3O3/c1-11(20)19-9-13(10-19)17-16(21)14-5-8-22-15(14)12-3-6-18(2)7-4-12/h12-15H,3-10H2,1-2H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyPGYNLYBABOFBFJ-LSDHHAIUSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide
CID 129399477
(2S,3R)-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 138024911
(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986871
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
CID 115893973
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
2-methyl-N-(5-methylpiperidin-3-yl)oxolane-3-carboxamide
CID 107585114
2-methyl-N-[(3R)-pyrrolidin-3-yl]oxolane-3-carboxamide
CID 79763327

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (CID 128984585) is (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is CC(=O)N1CC(NC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)C1.
What is the InChIKey of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The InChIKey is PGYNLYBABOFBFJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(20)19-9-13(10-19)17-16(21)14-5-8-22-15(14)12-3-6-18(2)7-4-12/h12-15H,3-10H2,1-2H3,(H,17,21)/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
(2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-acetylazetidin-3-yl)-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).