2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C15H22N4O — CID 60938982

IUPAC2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CNC1CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(11-17-13-4-5-13)19-9-7-18(8-10-19)12-14-3-1-2-6-16-14/h1-3,6,13,17H,4-5,7-12H2
InChIKeyCSSFFVZPXXNANN-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.48
Rot. Bonds5

About 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 60938982) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID60938982
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CNC1CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(11-17-13-4-5-13)19-9-7-18(8-10-19)12-14-3-1-2-6-16-14/h1-3,6,13,17H,4-5,7-12H2
InChIKeyCSSFFVZPXXNANN-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 60938982) is 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CNC1CC1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CSSFFVZPXXNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(11-17-13-4-5-13)19-9-7-18(8-10-19)12-14-3-1-2-6-16-14/h1-3,6,13,17H,4-5,7-12H2.
What are the key properties of 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 274.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60938982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).