(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid

C13H25N3O3 — CID 81120822

IUPAC(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-14(2)7-5-8-15(3)13(19)16-9-4-6-11(10-16)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRXVHVDBPUFMCGD-LLVKDONJSA-N
MW271.36 g/mol
LogP0.79
Rot. Bonds5

About (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120822) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81120822
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-14(2)7-5-8-15(3)13(19)16-9-4-6-11(10-16)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRXVHVDBPUFMCGD-LLVKDONJSA-N
XLogP0.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(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-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120822) is (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid is CN(C)CCCN(C)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RXVHVDBPUFMCGD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-14(2)7-5-8-15(3)13(19)16-9-4-6-11(10-16)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).