2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

C19H26N4O2 — CID 94806313

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(15-16-5-1-2-6-16)21-10-8-19(25)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1,3-5,7,9,16H,2,6,8,10-15H2,(H,21,24)/t16-/m1/s1
InChIKeyDAGYEHINQGZDAF-MRXNPFEDSA-N
MW342.44 g/mol
LogP1.59
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 94806313) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID94806313
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(15-16-5-1-2-6-16)21-10-8-19(25)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1,3-5,7,9,16H,2,6,8,10-15H2,(H,21,24)/t16-/m1/s1
InChIKeyDAGYEHINQGZDAF-MRXNPFEDSA-N
XLogP1.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941781
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-(cyclopropylmethyl)-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111868024
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
2-(cyclopropylmethyl)-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111868023
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
3-(1,3-benzoxazol-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133279330

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (CID 94806313) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is O=C(C[C@@H]1C=CCC1)NCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is DAGYEHINQGZDAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(15-16-5-1-2-6-16)21-10-8-19(25)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1,3-5,7,9,16H,2,6,8,10-15H2,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 94806313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).