1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one

C15H24N2O — CID 95120902

IUPAC1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one
SMILESC#CCN(CC=C)CCC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-9-16(10-5-2)12-8-15(18)17-11-6-7-14(3)13-17/h1,5,14H,2,6-13H2,3H3/t14-/m1/s1
InChIKeyANEGAFRCZWVBDA-CQSZACIVSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds6

About 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one

1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one (PubChem CID 95120902) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one
PubChem CID95120902
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one
SMILESC#CCN(CC=C)CCC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-4-9-16(10-5-2)12-8-15(18)17-11-6-7-14(3)13-17/h1,5,14H,2,6-13H2,3H3/t14-/m1/s1
InChIKeyANEGAFRCZWVBDA-CQSZACIVSA-N
XLogP1.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(prop-2-enyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 47075930
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one?
The IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one (CID 95120902) is 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one?
The canonical SMILES for 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one is C#CCN(CC=C)CCC(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one?
The InChIKey is ANEGAFRCZWVBDA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-9-16(10-5-2)12-8-15(18)17-11-6-7-14(3)13-17/h1,5,14H,2,6-13H2,3H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one?
1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one has a molecular weight of 248.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperidin-1-yl]-3-[prop-2-enyl(prop-2-ynyl)amino]propan-1-one is sourced from PubChem (CID 95120902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).