N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide

C24H28N2O3 — CID 60589228

IUPACN,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H28N2O3/c1-25(2)24(28)18-29-22-8-6-7-20(17-22)23(27)14-11-19-9-12-21(13-10-19)26-15-4-3-5-16-26/h6-14,17H,3-5,15-16,18H2,1-2H3/b14-11+
InChIKeyIYTSFODUQQUETA-SDNWHVSQSA-N
MW392.50 g/mol
LogP4.04
Rot. Bonds7

About N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide

N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 60589228) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID60589228
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H28N2O3/c1-25(2)24(28)18-29-22-8-6-7-20(17-22)23(27)14-11-19-9-12-21(13-10-19)26-15-4-3-5-16-26/h6-14,17H,3-5,15-16,18H2,1-2H3/b14-11+
InChIKeyIYTSFODUQQUETA-SDNWHVSQSA-N
XLogP4.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[3-[3-(4-methylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 78905765
2-[3-[3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905786
2-[3-[3-(4-tert-butylphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 75918815
N,N-dimethyl-2-[3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenoxy]acetamide
CID 47078571
2-[3-[3-(3,4-difluorophenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905768
N,N-dimethyl-2-[3-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetamide
CID 78905766
(E)-1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 155385815
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 7945660
2-[3-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727469
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide (CID 60589228) is N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide is CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is IYTSFODUQQUETA-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25(2)24(28)18-29-22-8-6-7-20(17-22)23(27)14-11-19-9-12-21(13-10-19)26-15-4-3-5-16-26/h6-14,17H,3-5,15-16,18H2,1-2H3/b14-11+.
What are the key properties of N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide?
N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 392.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 60589228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).