1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid

C16H30N2O3 — CID 63135500

IUPAC1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCCC(CCC)(C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-4-7-11-17(6-3)15(21)18-12-8-10-16(13-18,9-5-2)14(19)20/h4-13H2,1-3H3,(H,19,20)
InChIKeyHRFVERVDQAFDBN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.20
Rot. Bonds7

About 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid

1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63135500) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63135500
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCCC(CCC)(C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-4-7-11-17(6-3)15(21)18-12-8-10-16(13-18,9-5-2)14(19)20/h4-13H2,1-3H3,(H,19,20)
InChIKeyHRFVERVDQAFDBN-UHFFFAOYSA-N
XLogP3.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(2-methylsulfanylethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 115986460
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135724

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid (CID 63135500) is 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid is CCCCN(CC)C(=O)N1CCCC(CCC)(C(=O)O)C1.
What is the InChIKey of 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is HRFVERVDQAFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-7-11-17(6-3)15(21)18-12-8-10-16(13-18,9-5-2)14(19)20/h4-13H2,1-3H3,(H,19,20).
What are the key properties of 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid?
1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).