N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C15H21N5O2 — CID 7998646

IUPACN-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-6-17-15(22)18-14(21)12-19-8-10-20(11-9-19)13-5-3-4-7-16-13/h2-5,7H,1,6,8-12H2,(H2,17,18,21,22)
InChIKeyLDDBNIWVFDAFHT-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.22
Rot. Bonds5

About N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 7998646) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID7998646
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-6-17-15(22)18-14(21)12-19-8-10-20(11-9-19)13-5-3-4-7-16-13/h2-5,7H,1,6,8-12H2,(H2,17,18,21,22)
InChIKeyLDDBNIWVFDAFHT-UHFFFAOYSA-N
XLogP0.22
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-enylcarbamoyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46802067
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957634
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546656
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 7998646) is N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is C=CCNC(=O)NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is LDDBNIWVFDAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-6-17-15(22)18-14(21)12-19-8-10-20(11-9-19)13-5-3-4-7-16-13/h2-5,7H,1,6,8-12H2,(H2,17,18,21,22).
What are the key properties of N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 7998646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).