1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H25N3O3 — CID 62547368

IUPAC1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H25N3O3/c1-16-9-5-6-11(10-16)17(2)13(20)15-14(12(18)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVVFVIEFIDBIUQP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds3

About 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 62547368) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID62547368
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H25N3O3/c1-16-9-5-6-11(10-16)17(2)13(20)15-14(12(18)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVVFVIEFIDBIUQP-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 62710044
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 62547368) is 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN1CCCC(N(C)C(=O)NC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VVFVIEFIDBIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16-9-5-6-11(10-16)17(2)13(20)15-14(12(18)19)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62547368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).