3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C15H22N4O — CID 60842626

IUPAC3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNC1CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(6-8-16-13-4-5-13)19-11-9-18(10-12-19)14-3-1-2-7-17-14/h1-3,7,13,16H,4-6,8-12H2
InChIKeyOTXUCPJVVGDEEP-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.87
Rot. Bonds5

About 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 60842626) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID60842626
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNC1CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(6-8-16-13-4-5-13)19-11-9-18(10-12-19)14-3-1-2-7-17-14/h1-3,7,13,16H,4-6,8-12H2
InChIKeyOTXUCPJVVGDEEP-UHFFFAOYSA-N
XLogP0.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 94806313
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
2-(cyclopropylmethyl)-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111868024
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 60842626) is 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCNC1CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is OTXUCPJVVGDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(6-8-16-13-4-5-13)19-11-9-18(10-12-19)14-3-1-2-7-17-14/h1-3,7,13,16H,4-6,8-12H2.
What are the key properties of 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 274.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 60842626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).