1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one

C16H23N3O — CID 115938950

IUPAC1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H23N3O/c1-2-16(20)15-6-5-14(11-17-15)19-9-7-18(8-10-19)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyLACVVWPQCHRETE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds5

About 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one

1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one (PubChem CID 115938950) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
PubChem CID115938950
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H23N3O/c1-2-16(20)15-6-5-14(11-17-15)19-9-7-18(8-10-19)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyLACVVWPQCHRETE-UHFFFAOYSA-N
XLogP2.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
1-[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]propan-1-one
CID 115938998
5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 164885413
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
CID 61445571
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
1-[2-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanone
CID 104612490

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one (CID 115938950) is 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N2CCN(CC3CC3)CC2)cn1.
What is the InChIKey of 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one?
The InChIKey is LACVVWPQCHRETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-16(20)15-6-5-14(11-17-15)19-9-7-18(8-10-19)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3.
What are the key properties of 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one?
1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 115938950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).