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

C15H27N3O3 — CID 63146888

IUPAC1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)CC1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(13(19)20)6-9-18(11-15)14(21)17-7-4-12(5-8-17)10-16(2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyLMPMIUFYOFUUAP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.18
Rot. Bonds3

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

1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146888) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146888
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)CC1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(13(19)20)6-9-18(11-15)14(21)17-7-4-12(5-8-17)10-16(2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyLMPMIUFYOFUUAP-UHFFFAOYSA-N
XLogP1.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147899
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
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-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146888) is 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CN(C)CC1CCN(C(=O)N2CCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LMPMIUFYOFUUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(13(19)20)6-9-18(11-15)14(21)17-7-4-12(5-8-17)10-16(2)3/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).