2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide

C17H33N3O — CID 64704169

IUPAC2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
SMILESCCC1(C)CCN(C(C)CC(C)(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C17H33N3O/c1-5-16(3)8-10-20(11-9-16)13(2)12-17(4,15(18)21)19-14-6-7-14/h13-14,19H,5-12H2,1-4H3,(H2,18,21)
InChIKeyLPJGSSNGDKEBLU-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide

2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide (PubChem CID 64704169) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
PubChem CID64704169
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
SMILESCCC1(C)CCN(C(C)CC(C)(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C17H33N3O/c1-5-16(3)8-10-20(11-9-16)13(2)12-17(4,15(18)21)19-14-6-7-14/h13-14,19H,5-12H2,1-4H3,(H2,18,21)
InChIKeyLPJGSSNGDKEBLU-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
CID 64703050
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide
CID 64705468
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64705176
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 63159620
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide (CID 64704169) is 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide is CCC1(C)CCN(C(C)CC(C)(NC2CC2)C(N)=O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide?
The InChIKey is LPJGSSNGDKEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-16(3)8-10-20(11-9-16)13(2)12-17(4,15(18)21)19-14-6-7-14/h13-14,19H,5-12H2,1-4H3,(H2,18,21).
What are the key properties of 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide?
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide is sourced from PubChem (CID 64704169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).