1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid

C14H25N3O3 — CID 83020129

IUPAC1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NN1CCCCC1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)14(8-4-1-2-5-9-14)15-13(20)16-17-10-6-3-7-11-17/h1-11H2,(H,18,19)(H2,15,16,20)
InChIKeyZWIGFUPIMSVTPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.86
Rot. Bonds3

About 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid

1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 83020129) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
PubChem CID83020129
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NN1CCCCC1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)14(8-4-1-2-5-9-14)15-13(20)16-17-10-6-3-7-11-17/h1-11H2,(H,18,19)(H2,15,16,20)
InChIKeyZWIGFUPIMSVTPE-UHFFFAOYSA-N
XLogP1.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylpiperazin-1-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 83017667
1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 83020742
2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
CID 83020209
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 83019488
1,3-dipyrrolidin-1-ylurea
CID 140976479
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
1-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 24708743
1-(piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83023113
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid (CID 83020129) is 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid is O=C(NN1CCCCC1)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is ZWIGFUPIMSVTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(19)14(8-4-1-2-5-9-14)15-13(20)16-17-10-6-3-7-11-17/h1-11H2,(H,18,19)(H2,15,16,20).
What are the key properties of 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid?
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 83020129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).