(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide

C21H26N2O — CID 58945391

IUPAC(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCCN1CCCCC1
InChIInChI=1S/C21H26N2O/c24-21(22-14-7-17-23-15-4-1-5-16-23)13-12-19-10-6-9-18-8-2-3-11-20(18)19/h2-3,6,8-13H,1,4-5,7,14-17H2,(H,22,24)/b13-12+
InChIKeyAUOJFARHRLKJLO-OUKQBFOZSA-N
MW322.45 g/mol
LogP3.85
Rot. Bonds6

About (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide

(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide (PubChem CID 58945391) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
PubChem CID58945391
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCCN1CCCCC1
InChIInChI=1S/C21H26N2O/c24-21(22-14-7-17-23-15-4-1-5-16-23)13-12-19-10-6-9-18-8-2-3-11-20(18)19/h2-3,6,8-13H,1,4-5,7,14-17H2,(H,22,24)/b13-12+
InChIKeyAUOJFARHRLKJLO-OUKQBFOZSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30899954
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
N-[3-(azepan-1-yl)propyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 76858411
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 76858426
(E)-3-(2-fluorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide;dihydrochloride
CID 118480970
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72684591
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
(E)-3-(2-bromophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 32521505

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide (CID 58945391) is (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NCCCN1CCCCC1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide?
The InChIKey is AUOJFARHRLKJLO-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(22-14-7-17-23-15-4-1-5-16-23)13-12-19-10-6-9-18-8-2-3-11-20(18)19/h2-3,6,8-13H,1,4-5,7,14-17H2,(H,22,24)/b13-12+.
What are the key properties of (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide?
(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide has a molecular weight of 322.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 58945391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).