(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

C25H27N3O — CID 30899954

IUPAC(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(14-13-22-9-6-8-21-7-4-5-12-24(21)22)26-15-16-27-17-19-28(20-18-27)23-10-2-1-3-11-23/h1-14H,15-20H2,(H,26,29)/b14-13+
InChIKeyLYWCHWFXMPLPKY-BUHFOSPRSA-N
MW385.51 g/mol
LogP3.79
Rot. Bonds6

About (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide (PubChem CID 30899954) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
PubChem CID30899954
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(14-13-22-9-6-8-21-7-4-5-12-24(21)22)26-15-16-27-17-19-28(20-18-27)23-10-2-1-3-11-23/h1-14H,15-20H2,(H,26,29)/b14-13+
InChIKeyLYWCHWFXMPLPKY-BUHFOSPRSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
CID 58945391
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
(E)-3-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]prop-2-enamide
CID 34999381
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 38756154
(E)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 30885120
(E)-3-(2-bromophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 32521505
(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 51159430
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide (CID 30899954) is (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide?
The InChIKey is LYWCHWFXMPLPKY-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(14-13-22-9-6-8-21-7-4-5-12-24(21)22)26-15-16-27-17-19-28(20-18-27)23-10-2-1-3-11-23/h1-14H,15-20H2,(H,26,29)/b14-13+.
What are the key properties of (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide?
(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide has a molecular weight of 385.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 30899954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).