2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide

C19H35N3O — CID 95222569

IUPAC2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide
SMILESC=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H35N3O/c1-15(2)19(3,4)18(23)20-13-16-7-6-10-22(14-16)17-8-11-21(5)12-9-17/h16-17H,1,6-14H2,2-5H3,(H,20,23)/t16-/m1/s1
InChIKeyFIIPDOGKTKJKSD-MRXNPFEDSA-N
MW321.51 g/mol
LogP2.51
Rot. Bonds5

About 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide

2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide (PubChem CID 95222569) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide
PubChem CID95222569
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide
SMILESC=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H35N3O/c1-15(2)19(3,4)18(23)20-13-16-7-6-10-22(14-16)17-8-11-21(5)12-9-17/h16-17H,1,6-14H2,2-5H3,(H,20,23)/t16-/m1/s1
InChIKeyFIIPDOGKTKJKSD-MRXNPFEDSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide with MolForge

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Related Compounds

(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25379572
1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
CID 142205067
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 60856927
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide?
The IUPAC name of 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide (CID 95222569) is 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide.
What is the SMILES notation for 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide?
The canonical SMILES for 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide is C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide?
The InChIKey is FIIPDOGKTKJKSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H35N3O/c1-15(2)19(3,4)18(23)20-13-16-7-6-10-22(14-16)17-8-11-21(5)12-9-17/h16-17H,1,6-14H2,2-5H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide?
2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide has a molecular weight of 321.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide is sourced from PubChem (CID 95222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).