N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide

C19H24N2O — CID 19761201

IUPACN-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CCN(CC2=Cc3ccccc32)CC1
InChIInChI=1S/C19H24N2O/c1-14(2)19(22)20(3)17-8-10-21(11-9-17)13-16-12-15-6-4-5-7-18(15)16/h4-7,12,17H,1,8-11,13H2,2-3H3
InChIKeyKXZNCPMNFZMLIA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide

N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide (PubChem CID 19761201) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide
PubChem CID19761201
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CCN(CC2=Cc3ccccc32)CC1
InChIInChI=1S/C19H24N2O/c1-14(2)19(22)20(3)17-8-10-21(11-9-17)13-16-12-15-6-4-5-7-18(15)16/h4-7,12,17H,1,8-11,13H2,2-3H3
InChIKeyKXZNCPMNFZMLIA-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-2-enedioic acid;2-methylpropyl N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate
CID 67858262
ethyl (3S,4R)-1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 70358112
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
ethyl (3R,4R)-1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)-4-methylsulfonyloxypiperidine-3-carboxylate;hydrochloride
CID 86743064
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide?
The IUPAC name of N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide (CID 19761201) is N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)C1CCN(CC2=Cc3ccccc32)CC1.
What is the InChIKey of N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide?
The InChIKey is KXZNCPMNFZMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)19(22)20(3)17-8-10-21(11-9-17)13-16-12-15-6-4-5-7-18(15)16/h4-7,12,17H,1,8-11,13H2,2-3H3.
What are the key properties of N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide?
N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide has a molecular weight of 296.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 19761201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).