N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide

C30H32N2O4 — CID 175194789

IUPACN-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C30H32N2O4/c1-35-27-12-7-23(8-13-27)9-16-29(33)25-10-14-28(15-11-25)36-22-30(34)31-26-17-19-32(20-18-26)21-24-5-3-2-4-6-24/h2-16,26H,17-22H2,1H3,(H,31,34)/b16-9+
InChIKeyCEVYEQNAFWETAK-CXUHLZMHSA-N
MW484.60 g/mol
LogP4.75
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide

N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 175194789) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID175194789
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C30H32N2O4/c1-35-27-12-7-23(8-13-27)9-16-29(33)25-10-14-28(15-11-25)36-22-30(34)31-26-17-19-32(20-18-26)21-24-5-3-2-4-6-24/h2-16,26H,17-22H2,1H3,(H,31,34)/b16-9+
InChIKeyCEVYEQNAFWETAK-CXUHLZMHSA-N
XLogP4.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetamide
CID 175366667
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26014093
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 16611260
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
(E)-N-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26691379

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide (CID 175194789) is N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide is COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is CEVYEQNAFWETAK-CXUHLZMHSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-35-27-12-7-23(8-13-27)9-16-29(33)25-10-14-28(15-11-25)36-22-30(34)31-26-17-19-32(20-18-26)21-24-5-3-2-4-6-24/h2-16,26H,17-22H2,1H3,(H,31,34)/b16-9+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 484.60 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 175194789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).