1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one

C14H24N4O — CID 82897279

IUPAC1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESNCCCN1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C14H24N4O/c15-5-3-6-16-8-10-17(11-9-16)12-13-18-7-2-1-4-14(18)19/h1-2,4,7H,3,5-6,8-13,15H2
InChIKeyAFDOKLDKORCBEP-UHFFFAOYSA-N
MW264.37 g/mol
LogP-0.19
Rot. Bonds6

About 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one

1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 82897279) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID82897279
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESNCCCN1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C14H24N4O/c15-5-3-6-16-8-10-17(11-9-16)12-13-18-7-2-1-4-14(18)19/h1-2,4,7H,3,5-6,8-13,15H2
InChIKeyAFDOKLDKORCBEP-UHFFFAOYSA-N
XLogP-0.19
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
CID 82906952
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
2-methyl-2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]propanethioamide
CID 82898824
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanethioamide
CID 82898823
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
CID 82897600
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 103576927

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 82897279) is 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one is NCCCN1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is AFDOKLDKORCBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-5-3-6-16-8-10-17(11-9-16)12-13-18-7-2-1-4-14(18)19/h1-2,4,7H,3,5-6,8-13,15H2.
What are the key properties of 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82897279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).