2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide

C20H29N3O3 — CID 31425149

IUPAC2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)/C=C/c2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H29N3O3/c1-4-9-21-19(24)15-22-10-12-23(13-11-22)20(25)8-6-17-14-16(2)5-7-18(17)26-3/h5-8,14H,4,9-13,15H2,1-3H3,(H,21,24)/b8-6+
InChIKeyJINHNZZSTJFBRC-SOFGYWHQSA-N
MW359.47 g/mol
LogP1.69
Rot. Bonds7

About 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 31425149) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID31425149
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)/C=C/c2cc(C)ccc2OC)CC1
InChIInChI=1S/C20H29N3O3/c1-4-9-21-19(24)15-22-10-12-23(13-11-22)20(25)8-6-17-14-16(2)5-7-18(17)26-3/h5-8,14H,4,9-13,15H2,1-3H3,(H,21,24)/b8-6+
InChIKeyJINHNZZSTJFBRC-SOFGYWHQSA-N
XLogP1.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
CID 134011563
2-[4-[3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78817436
(E)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 94650670
2-[4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
CID 134014589
(E)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 55551303
2-[4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78817426
3-(5-chloro-2-methoxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 55911047
4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111424
1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102603388
(E)-3-(2-methoxy-5-methylphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 7601941
(2R)-4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9425290
(E)-1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 51218594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide (CID 31425149) is 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)/C=C/c2cc(C)ccc2OC)CC1.
What is the InChIKey of 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is JINHNZZSTJFBRC-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-9-21-19(24)15-22-10-12-23(13-11-22)20(25)8-6-17-14-16(2)5-7-18(17)26-3/h5-8,14H,4,9-13,15H2,1-3H3,(H,21,24)/b8-6+.
What are the key properties of 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 359.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 31425149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).