1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 122006393

IUPAC1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(7-4-8-15)11-16-14(20)17-9-3-5-12(10-17)13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyNIGPUKWHTGDVGE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122006393) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122006393
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(7-4-8-15)11-16-14(20)17-9-3-5-12(10-17)13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyNIGPUKWHTGDVGE-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515
(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 104866292
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122006393) is 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is CCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is NIGPUKWHTGDVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-15(7-4-8-15)11-16-14(20)17-9-3-5-12(10-17)13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122006393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).