4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide

C16H23N3O3 — CID 108903982

IUPAC4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1/C=C/NC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C16H23N3O3/c1-22-15-5-3-2-4-14(15)6-7-17-16(21)19-10-8-18(9-11-19)12-13-20/h2-7,20H,8-13H2,1H3,(H,17,21)/b7-6+
InChIKeyXSHKGRYEXMLFKM-VOTSOKGWSA-N
MW305.38 g/mol
LogP0.99
Rot. Bonds5

About 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108903982) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108903982
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1/C=C/NC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C16H23N3O3/c1-22-15-5-3-2-4-14(15)6-7-17-16(21)19-10-8-18(9-11-19)12-13-20/h2-7,20H,8-13H2,1H3,(H,17,21)/b7-6+
InChIKeyXSHKGRYEXMLFKM-VOTSOKGWSA-N
XLogP0.99
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide
CID 108904315
N-[(E)-2-(2-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108905179
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102603388
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
2-[4-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperazin-1-yl]ethanol
CID 3055463
1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903996
N-tert-butyl-4-[2-[(4-methoxybenzoyl)-[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]ethyl]piperazine-1-carboxamide
CID 42710864
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]butanamide
CID 42725378

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide (CID 108903982) is 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide is COc1ccccc1/C=C/NC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is XSHKGRYEXMLFKM-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-15-5-3-2-4-14(15)6-7-17-16(21)19-10-8-18(9-11-19)12-13-20/h2-7,20H,8-13H2,1H3,(H,17,21)/b7-6+.
What are the key properties of 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108903982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).