4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide

C16H29N3O3 — CID 91774051

IUPAC4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H29N3O3/c1-13(2)4-11-22-15-12-21-10-5-14(15)17-16(20)19-8-6-18(3)7-9-19/h4,14-15H,5-12H2,1-3H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyIVDIXFRLZJWNKA-HUUCEWRRSA-N
MW311.43 g/mol
LogP1.08
Rot. Bonds4

About 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide

4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide (PubChem CID 91774051) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
PubChem CID91774051
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H29N3O3/c1-13(2)4-11-22-15-12-21-10-5-14(15)17-16(20)19-8-6-18(3)7-9-19/h4,14-15H,5-12H2,1-3H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyIVDIXFRLZJWNKA-HUUCEWRRSA-N
XLogP1.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
CID 164634615
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91761513
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-5-carboxamide
CID 91772333
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
CID 164630030
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91786689
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
2-cyclopropyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 91772398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide (CID 91774051) is 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide is CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide?
The InChIKey is IVDIXFRLZJWNKA-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)4-11-22-15-12-21-10-5-14(15)17-16(20)19-8-6-18(3)7-9-19/h4,14-15H,5-12H2,1-3H3,(H,17,20)/t14-,15-/m1/s1.
What are the key properties of 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide?
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91774051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).