1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 83017877

IUPAC1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)17-14(21)16-10-15(13(19)20)8-3-4-9-15/h11-12H,3-10H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyHIDDDHJHVKGPTA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.11
Rot. Bonds4

About 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 83017877) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID83017877
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)17-14(21)16-10-15(13(19)20)8-3-4-9-15/h11-12H,3-10H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyHIDDDHJHVKGPTA-UHFFFAOYSA-N
XLogP2.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 83019488
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 83017877) is 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is CC1CCCC(C)N1NC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HIDDDHJHVKGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)17-14(21)16-10-15(13(19)20)8-3-4-9-15/h11-12H,3-10H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).