[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone

C14H22N4O — CID 55201001

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCCC(CN)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C14H22N4O/c1-2-12(11-15)17-7-9-18(10-8-17)14(19)13-5-3-4-6-16-13/h3-6,12H,2,7-11,15H2,1H3
InChIKeyPUEHQHSBPUHCIV-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.58
Rot. Bonds4

About [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 55201001) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID55201001
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCCC(CN)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C14H22N4O/c1-2-12(11-15)17-7-9-18(10-8-17)14(19)13-5-3-4-6-16-13/h3-6,12H,2,7-11,15H2,1H3
InChIKeyPUEHQHSBPUHCIV-UHFFFAOYSA-N
XLogP0.58
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479698
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 38786072
ethyl [4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533354

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 55201001) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone is CCC(CN)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is PUEHQHSBPUHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-12(11-15)17-7-9-18(10-8-17)14(19)13-5-3-4-6-16-13/h3-6,12H,2,7-11,15H2,1H3.
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 55201001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).