1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

C14H27N3O3 — CID 63137282

IUPAC1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-14(12(18)19)7-6-10-17(11-14)13(20)15-8-4-5-9-16(2)3/h4-11H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYNTVOTPINMNYIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137282) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137282
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)CCCCNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-14(12(18)19)7-6-10-17(11-14)13(20)15-8-4-5-9-16(2)3/h4-11H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyYNTVOTPINMNYIW-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 64532172
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63137282) is 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is CN(C)CCCCNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YNTVOTPINMNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(12(18)19)7-6-10-17(11-14)13(20)15-8-4-5-9-16(2)3/h4-11H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).