3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid

C15H28N2O3 — CID 63134421

IUPAC3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)CCCNC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-4-15(14(19)20)8-6-10-17(11-15)13(18)7-5-9-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyBBQQRIGVXCYPJU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds7

About 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid

3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid (PubChem CID 63134421) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
PubChem CID63134421
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)CCCNC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-4-15(14(19)20)8-6-10-17(11-15)13(18)7-5-9-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyBBQQRIGVXCYPJU-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[4-(propan-2-ylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63145353
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
3-ethyl-1-[3-(ethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63145001
4-(propan-2-ylamino)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 55215249
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid (CID 63134421) is 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)CCCNC(C)C)C1.
What is the InChIKey of 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is BBQQRIGVXCYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-15(14(19)20)8-6-10-17(11-15)13(18)7-5-9-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63134421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).