1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 63149105

IUPAC1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-9-17(10-14)13(20)16-7-4-11(5-8-16)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyBPEJVNZJWSDYPJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds2

About 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149105) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149105
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)C1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)6-9-17(10-14)13(20)16-7-4-11(5-8-16)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyBPEJVNZJWSDYPJ-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147899
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 66061829

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149105) is 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CN(C)C1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BPEJVNZJWSDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(12(18)19)6-9-17(10-14)13(20)16-7-4-11(5-8-16)15(2)3/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).