1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid

C15H27N3O3 — CID 105419749

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-16(2)15(7-5-8-15)11-17(3)14(21)18-9-4-6-12(10-18)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyKAZZLSLCNTUVNJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid

1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 105419749) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID105419749
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-16(2)15(7-5-8-15)11-17(3)14(21)18-9-4-6-12(10-18)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyKAZZLSLCNTUVNJ-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 114950906
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120132
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776
(3R)-1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120312

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid (CID 105419749) is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid is CN(CC1(N(C)C)CCC1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KAZZLSLCNTUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(2)15(7-5-8-15)11-17(3)14(21)18-9-4-6-12(10-18)13(19)20/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 105419749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).