1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H31N3O3 — CID 122122853

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC1CCCCN1CCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H31N3O3/c1-3-15-6-4-5-8-19(15)9-7-18-17(23)20-11-13(2)10-14(12-20)16(21)22/h13-15H,3-12H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyNHNSTSRSGVGOCT-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122853) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122853
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC1CCCCN1CCNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H31N3O3/c1-3-15-6-4-5-8-19(15)9-7-18-17(23)20-11-13(2)10-14(12-20)16(21)22/h13-15H,3-12H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyNHNSTSRSGVGOCT-UHFFFAOYSA-N
XLogP2.00
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122172
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
5-methyl-1-(thian-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 122123427
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[(1-ethoxycyclopentyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123962
1-[(3-ethoxy-4-methylpentyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123015
1-[2-(1-methoxycyclobutyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123956

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122853) is 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CCC1CCCCN1CCNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is NHNSTSRSGVGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-3-15-6-4-5-8-19(15)9-7-18-17(23)20-11-13(2)10-14(12-20)16(21)22/h13-15H,3-12H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 325.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).