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

C13H24N2O2 — CID 115000516

IUPAC1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(CNC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-4-5-11(10-15)9-14-13(12(16)17)6-2-3-7-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyKMUMKVKVRARRHQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.32
Rot. Bonds4

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

1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 115000516) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID115000516
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(CNC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-4-5-11(10-15)9-14-13(12(16)17)6-2-3-7-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyKMUMKVKVRARRHQ-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-[(1-methylpiperidin-2-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000518
2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142490
[1-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 113293535
1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
CID 82238366
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid (CID 115000516) is 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid is CN1CCCC(CNC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KMUMKVKVRARRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-8-4-5-11(10-15)9-14-13(12(16)17)6-2-3-7-13/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid?
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115000516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).