N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide

C26H30N2O4 — CID 38062485

IUPACN-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESC=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H30N2O4/c1-3-17-32-23-11-9-20(18-24(23)31-2)10-12-25(29)28-15-13-22(14-16-28)26(30)27-19-21-7-5-4-6-8-21/h3-12,18,22H,1,13-17,19H2,2H3,(H,27,30)/b12-10+
InChIKeyQUXBGWQXPLCQBS-ZRDIBKRKSA-N
MW434.54 g/mol
LogP3.83
Rot. Bonds9

About N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide

N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 38062485) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID38062485
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
SMILESC=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H30N2O4/c1-3-17-32-23-11-9-20(18-24(23)31-2)10-12-25(29)28-15-13-22(14-16-28)26(30)27-19-21-7-5-4-6-8-21/h3-12,18,22H,1,13-17,19H2,2H3,(H,27,30)/b12-10+
InChIKeyQUXBGWQXPLCQBS-ZRDIBKRKSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779330
(Z)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[(4R)-4-methylazepan-1-yl]prop-2-en-1-one
CID 97435391
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578
3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 1188932
tert-butyl 4-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 46532921
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031155
N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 24560077
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354
2-[4-[(E)-3-(4-benzoylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 41308928
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
(E)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 162351662
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 9226386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide (CID 38062485) is N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide is C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is QUXBGWQXPLCQBS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-3-17-32-23-11-9-20(18-24(23)31-2)10-12-25(29)28-15-13-22(14-16-28)26(30)27-19-21-7-5-4-6-8-21/h3-12,18,22H,1,13-17,19H2,2H3,(H,27,30)/b12-10+.
What are the key properties of N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide?
N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 38062485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).