1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

C14H24N2O3 — CID 55164151

IUPAC1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)CC2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-14(12(17)18)7-4-8-16(10-14)13(19)15(2)9-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFGCJMZVRBZZWLF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55164151) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID55164151
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)CC2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-14(12(17)18)7-4-8-16(10-14)13(19)15(2)9-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFGCJMZVRBZZWLF-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135670
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107400193
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-[methyl(2-methylsulfanylethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 115986460
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (CID 55164151) is 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N(C)CC2CC2)C1.
What is the InChIKey of 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is FGCJMZVRBZZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(12(17)18)7-4-8-16(10-14)13(19)15(2)9-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55164151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).