2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

C16H34N4O — CID 60954174

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3
InChIKeyKFXRYMKOHGEQIL-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.84
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 60954174) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID60954174
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3
InChIKeyKFXRYMKOHGEQIL-UHFFFAOYSA-N
XLogP0.84
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylpentanamide
CID 9883382
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylpentanamide
CID 9926925
Chrysosporide
CID 16091636
Pentanamide, N-(1-(1-oxo-2-propylpentyl)-4-piperidinyl)-2-propyl-
CID 3075854
(3S,6S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 100574378
2-ethyl-N-[3-[4-[3-(2-ethylhexanoylamino)propyl]piperazin-1-yl]propyl]hexanamide
CID 2930947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide (CID 60954174) is 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide is CC(C)CC(N)C(=O)N(CCN(C)C)C1CCN(C)CC1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is KFXRYMKOHGEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-13(2)12-15(17)16(21)20(11-10-18(3)4)14-6-8-19(5)9-7-14/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 298.48 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 60954174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).