4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid

C14H26N4O3 — CID 114425328

IUPAC4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCN2CCNCC2)C(C(=O)O)C1
InChIInChI=1S/C14H26N4O3/c1-11-2-6-18(12(10-11)13(19)20)14(21)16-5-9-17-7-3-15-4-8-17/h11-12,15H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLADCGYUHMLUBKE-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.21
Rot. Bonds4

About 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid

4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 114425328) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID114425328
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCN2CCNCC2)C(C(=O)O)C1
InChIInChI=1S/C14H26N4O3/c1-11-2-6-18(12(10-11)13(19)20)14(21)16-5-9-17-7-3-15-4-8-17/h11-12,15H,2-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLADCGYUHMLUBKE-UHFFFAOYSA-N
XLogP-0.21
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid (CID 114425328) is 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)NCCN2CCNCC2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is LADCGYUHMLUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-11-2-6-18(12(10-11)13(19)20)14(21)16-5-9-17-7-3-15-4-8-17/h11-12,15H,2-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114425328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).