(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide

C15H27N3O3 — CID 128978850

IUPAC(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCCN(C)C(=O)CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C15H27N3O3/c1-3-17(2)13(19)10-18-7-4-11(5-8-18)14-12(15(16)20)6-9-21-14/h11-12,14H,3-10H2,1-2H3,(H2,16,20)/t12-,14+/m0/s1
InChIKeyBSJWYQICIINUFT-GXTWGEPZSA-N
MW297.40 g/mol
LogP0.07
Rot. Bonds5

About (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128978850) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128978850
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCCN(C)C(=O)CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C15H27N3O3/c1-3-17(2)13(19)10-18-7-4-11(5-8-18)14-12(15(16)20)6-9-21-14/h11-12,14H,3-10H2,1-2H3,(H2,16,20)/t12-,14+/m0/s1
InChIKeyBSJWYQICIINUFT-GXTWGEPZSA-N
XLogP0.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154802072
(2R,3S)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978878
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723
N-ethyl-2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114510921
N-ethyl-N-methyl-2-(4-oxopiperidin-1-yl)acetamide
CID 43309728
(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128989167
2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
CID 43309505
(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977647
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethyl-N-methylacetamide
CID 102683256
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide (CID 128978850) is (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide is CCN(C)C(=O)CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1.
What is the InChIKey of (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is BSJWYQICIINUFT-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-17(2)13(19)10-18-7-4-11(5-8-18)14-12(15(16)20)6-9-21-14/h11-12,14H,3-10H2,1-2H3,(H2,16,20)/t12-,14+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128978850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).