1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid

C13H24N4O3 — CID 61408074

IUPAC1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C13H24N4O3/c18-12(19)11-2-1-6-17(10-11)13(20)15-5-9-16-7-3-14-4-8-16/h11,14H,1-10H2,(H,15,20)(H,18,19)
InChIKeyYCWQRJJWHVOZBT-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.60
Rot. Bonds4

About 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid

1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 61408074) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID61408074
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C13H24N4O3/c18-12(19)11-2-1-6-17(10-11)13(20)15-5-9-16-7-3-14-4-8-16/h11,14H,1-10H2,(H,15,20)(H,18,19)
InChIKeyYCWQRJJWHVOZBT-UHFFFAOYSA-N
XLogP-0.60
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid (CID 61408074) is 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCN2CCNCC2)C1.
What is the InChIKey of 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is YCWQRJJWHVOZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c18-12(19)11-2-1-6-17(10-11)13(20)15-5-9-16-7-3-14-4-8-16/h11,14H,1-10H2,(H,15,20)(H,18,19).
What are the key properties of 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 61408074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).