2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H23N3O3 — CID 64817105

IUPAC2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(NC(=O)NC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-3-4-9(8-16)14-13(19)15-11-6-2-5-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHTCGNVMYZWLYJD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817105) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64817105
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(NC(=O)NC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-3-4-9(8-16)14-13(19)15-11-6-2-5-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHTCGNVMYZWLYJD-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
1-(1-methylpiperidin-3-yl)-3-piperidin-4-ylurea
CID 117234729
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383195
2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815964
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
(2R)-3-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79009869
2-[(1,1-dioxothian-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64816516
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 55169838
2-ethyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79804310
2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816939

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64817105) is 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CN1CCCC(NC(=O)NC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HTCGNVMYZWLYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16-7-3-4-9(8-16)14-13(19)15-11-6-2-5-10(11)12(17)18/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).