6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide

C15H29N3O2 — CID 140937076

IUPAC6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
SMILESCC(C)C(=O)CCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C15H29N3O2/c1-13(2)14(19)5-4-6-15(20)16-7-8-18-11-9-17(3)10-12-18/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyDQUZDKPJCVHSFM-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.75
Rot. Bonds8

About 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide

6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide (PubChem CID 140937076) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
PubChem CID140937076
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
SMILESCC(C)C(=O)CCCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C15H29N3O2/c1-13(2)14(19)5-4-6-15(20)16-7-8-18-11-9-17(3)10-12-18/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyDQUZDKPJCVHSFM-UHFFFAOYSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide?
The IUPAC name of 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide (CID 140937076) is 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide.
What is the SMILES notation for 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide?
The canonical SMILES for 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide is CC(C)C(=O)CCCC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide?
The InChIKey is DQUZDKPJCVHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(2)14(19)5-4-6-15(20)16-7-8-18-11-9-17(3)10-12-18/h13H,4-12H2,1-3H3,(H,16,20).
What are the key properties of 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide?
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide has a molecular weight of 283.42 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide is sourced from PubChem (CID 140937076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).