2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride

C15H29Cl2N3O2 — CID 120800093

IUPAC2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-2-7-18-8-3-13(4-9-18)17-15(19)14(16)12-5-10-20-11-6-12;;/h2,12-14H,1,3-11,16H2,(H,17,19);2*1H
InChIKeyJCLFMDSKCRMBBB-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120800093) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120800093
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-2-7-18-8-3-13(4-9-18)17-15(19)14(16)12-5-10-20-11-6-12;;/h2,12-14H,1,3-11,16H2,(H,17,19);2*1H
InChIKeyJCLFMDSKCRMBBB-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
CID 120795689
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120797554
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 120798427
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800981
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride (CID 120800093) is 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride is C=CCN1CCC(NC(=O)C(N)C2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is JCLFMDSKCRMBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c1-2-7-18-8-3-13(4-9-18)17-15(19)14(16)12-5-10-20-11-6-12;;/h2,12-14H,1,3-11,16H2,(H,17,19);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).