3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C15H26N4O — CID 57245086

IUPAC3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(Cc2cc[nH]c(=O)c2CCCCN)CC1
InChIInChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h5,7H,2-4,6,8-12,16H2,1H3,(H,17,20)
InChIKeyIMYHGMPNGNAELE-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.40
Rot. Bonds6

About 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one

3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 57245086) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID57245086
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESCN1CCN(Cc2cc[nH]c(=O)c2CCCCN)CC1
InChIInChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h5,7H,2-4,6,8-12,16H2,1H3,(H,17,20)
InChIKeyIMYHGMPNGNAELE-UHFFFAOYSA-N
XLogP0.40
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-1-methyl-4-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperazin-2-one
CID 56711658
(5-Methylidenecyclohexa-1,3-dien-1-yl)-piperazin-1-ylmethanone
CID 21257349
4-(1-methyl-6-oxo-2,5-dihydropyridin-4-yl)-1H-pyridin-2-one
CID 22127296
5-amino-3-but-2-enyl-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 56990861
3-(4-aminobutyl)-4-[(3-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57032547
3-(3-aminopropyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57042994
3-(4-aminobutyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57050952
3-(4-aminobutyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 57052437
3-(4-aminobut-2-enyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 57142596
3-(4-aminobutyl)-4-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 57181300
3-(4-aminobutyl)-4-(1,2,3,6-tetrahydropyridin-2-ylmethyl)-1H-pyridin-2-one
CID 57191454
5-amino-3-butyl-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57196290

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 57245086) is 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is CN1CCN(Cc2cc[nH]c(=O)c2CCCCN)CC1.
What is the InChIKey of 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is IMYHGMPNGNAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18-8-10-19(11-9-18)12-13-5-7-17-15(20)14(13)4-2-3-6-16/h5,7H,2-4,6,8-12,16H2,1H3,(H,17,20).
What are the key properties of 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57245086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).