4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one

C15H24N4O — CID 115939614

IUPAC4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
SMILESCCNC(CC)c1ccc(N2CCNC(=O)C2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-13(16-5-2)14-7-6-12(10-18-14)19-9-8-17-15(20)11(19)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyKPEOPADDNMRXNT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds5

About 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one

4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one (PubChem CID 115939614) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
PubChem CID115939614
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
SMILESCCNC(CC)c1ccc(N2CCNC(=O)C2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-13(16-5-2)14-7-6-12(10-18-14)19-9-8-17-15(20)11(19)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyKPEOPADDNMRXNT-UHFFFAOYSA-N
XLogP1.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
CID 83118479
1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 115939578
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
N-ethyl-1-[5-(5-ethyl-2-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 115939344
4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
CID 114066855
N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
CID 115939561
1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115939347
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one (CID 115939614) is 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one is CCNC(CC)c1ccc(N2CCNC(=O)C2C)cn1.
What is the InChIKey of 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one?
The InChIKey is KPEOPADDNMRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-13(16-5-2)14-7-6-12(10-18-14)19-9-8-17-15(20)11(19)3/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3,(H,17,20).
What are the key properties of 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one?
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 115939614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).