1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid

C12H22N2O3 — CID 62837825

IUPAC1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
SMILESCCNC(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-6-4-10(5-7-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyBVVPZFIJGYBVBA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds5

About 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid

1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid (PubChem CID 62837825) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
PubChem CID62837825
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
SMILESCCNC(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-6-4-10(5-7-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyBVVPZFIJGYBVBA-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
CID 62837981
3-(ethylamino)-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63978426
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 62837626
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
CID 55121642
3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
CID 62837418
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid (CID 62837825) is 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid is CCNC(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is BVVPZFIJGYBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13-9(2)8-11(15)14-6-4-10(5-7-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid?
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62837825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).