2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

C11H18N2O3 — CID 60792023

IUPAC2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-13-4-2-7(3-5-13)12-10(14)8-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyDCOVOJJTTLBBMC-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60792023) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60792023
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-13-4-2-7(3-5-13)12-10(14)8-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyDCOVOJJTTLBBMC-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511677
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182817
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 104966695
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 83848967
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60792023) is 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is CN1CCC(NC(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DCOVOJJTTLBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-4-2-7(3-5-13)12-10(14)8-6-9(8)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).