2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid

C15H27N3O3 — CID 81155945

IUPAC2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCN1CCC(CNC(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-7-3-12(4-8-18)10-16-14(21)17-11-15(5-2-6-15)9-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyUZVAMAOESLHJMQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds6

About 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81155945) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81155945
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCN1CCC(CNC(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-7-3-12(4-8-18)10-16-14(21)17-11-15(5-2-6-15)9-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyUZVAMAOESLHJMQ-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638
2-[1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81166798
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid (CID 81155945) is 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid is CN1CCC(CNC(=O)NCC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is UZVAMAOESLHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18-7-3-12(4-8-18)10-16-14(21)17-11-15(5-2-6-15)9-13(19)20/h12H,2-11H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81155945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).