1-benzyl-4-(prop-2-enylamino)piperidin-2-one

C15H20N2O — CID 67325743

IUPAC1-benzyl-4-(prop-2-enylamino)piperidin-2-one
SMILESC=CCNC1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H20N2O/c1-2-9-16-14-8-10-17(15(18)11-14)12-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2
InChIKeyJNXHEZJYARGWCW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.95
Rot. Bonds5

About 1-benzyl-4-(prop-2-enylamino)piperidin-2-one

1-benzyl-4-(prop-2-enylamino)piperidin-2-one (PubChem CID 67325743) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-benzyl-4-(prop-2-enylamino)piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(prop-2-enylamino)piperidin-2-one
PubChem CID67325743
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-benzyl-4-(prop-2-enylamino)piperidin-2-one
SMILESC=CCNC1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H20N2O/c1-2-9-16-14-8-10-17(15(18)11-14)12-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2
InChIKeyJNXHEZJYARGWCW-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibenzylpiperidin-2-one
CID 57246894
8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
CID 118993423
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
CID 154860377
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
7-benzyl-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 74505833
(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
CID 157327222
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one
CID 172552727
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(prop-2-enylamino)piperidin-2-one?
The IUPAC name of 1-benzyl-4-(prop-2-enylamino)piperidin-2-one (CID 67325743) is 1-benzyl-4-(prop-2-enylamino)piperidin-2-one.
What is the SMILES notation for 1-benzyl-4-(prop-2-enylamino)piperidin-2-one?
The canonical SMILES for 1-benzyl-4-(prop-2-enylamino)piperidin-2-one is C=CCNC1CCN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of 1-benzyl-4-(prop-2-enylamino)piperidin-2-one?
The InChIKey is JNXHEZJYARGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-9-16-14-8-10-17(15(18)11-14)12-13-6-4-3-5-7-13/h2-7,14,16H,1,8-12H2.
What are the key properties of 1-benzyl-4-(prop-2-enylamino)piperidin-2-one?
1-benzyl-4-(prop-2-enylamino)piperidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(prop-2-enylamino)piperidin-2-one is sourced from PubChem (CID 67325743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).