4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid

C17H32N2O2 — CID 65076489

IUPAC4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CCCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-17(16(20)21)8-12-19(13-9-17)15-6-5-10-18(11-7-15)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyRGWXMAOFXSJUPH-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.83
Rot. Bonds4

About 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid

4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid (PubChem CID 65076489) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
PubChem CID65076489
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CCCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-17(16(20)21)8-12-19(13-9-17)15-6-5-10-18(11-7-15)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyRGWXMAOFXSJUPH-UHFFFAOYSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065657
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 107450485
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
1-(1,1-dioxothian-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064274
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 65066159
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid (CID 65076489) is 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C2CCCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid?
The InChIKey is RGWXMAOFXSJUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-17(16(20)21)8-12-19(13-9-17)15-6-5-10-18(11-7-15)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65076489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).