1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C13H23N3O3 — CID 83019488

IUPAC1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)NN1CCCCC1
InChIInChI=1S/C13H23N3O3/c17-11(18)13(6-2-3-7-13)10-14-12(19)15-16-8-4-1-5-9-16/h1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyJPGLTDVNKWJNLG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.33
Rot. Bonds4

About 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 83019488) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID83019488
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)NN1CCCCC1
InChIInChI=1S/C13H23N3O3/c17-11(18)13(6-2-3-7-13)10-14-12(19)15-16-8-4-1-5-9-16/h1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyJPGLTDVNKWJNLG-UHFFFAOYSA-N
XLogP1.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 83005184
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83017877
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444709
1-[[(2-methoxy-2-oxoethyl)carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444671
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058

Frequently Asked Questions

What is the IUPAC name of 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 83019488) is 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)NN1CCCCC1.
What is the InChIKey of 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JPGLTDVNKWJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-11(18)13(6-2-3-7-13)10-14-12(19)15-16-8-4-1-5-9-16/h1-10H2,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83019488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).