1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

C16H28N2O3 — CID 63136624

IUPAC1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCCCN(C(=O)N1CCCC(CC)(C(=O)O)C1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-3-5-11-18(13-7-8-13)15(21)17-10-6-9-16(4-2,12-17)14(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyMMBJGDZWCZCNNH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds6

About 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63136624) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63136624
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCCCN(C(=O)N1CCCC(CC)(C(=O)O)C1)C1CC1
InChIInChI=1S/C16H28N2O3/c1-3-5-11-18(13-7-8-13)15(21)17-10-6-9-16(4-2,12-17)14(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyMMBJGDZWCZCNNH-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135500
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135670
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (CID 63136624) is 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is CCCCN(C(=O)N1CCCC(CC)(C(=O)O)C1)C1CC1.
What is the InChIKey of 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is MMBJGDZWCZCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-5-11-18(13-7-8-13)15(21)17-10-6-9-16(4-2,12-17)14(19)20/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).