2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

C12H20N2O3 — CID 64836565

IUPAC2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-12(2)8(9(12)11(16)17)10(15)14-7-3-5-13-6-4-7/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLKLSWQMBWNZIK-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.21
Rot. Bonds3

About 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64836565) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64836565
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-12(2)8(9(12)11(16)17)10(15)14-7-3-5-13-6-4-7/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLKLSWQMBWNZIK-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
2,2,3,3-tetramethyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 66477619
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
2,2-dimethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836966
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836209
cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066932
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 64836565) is 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCNCC1.
What is the InChIKey of 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is QLKLSWQMBWNZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2)8(9(12)11(16)17)10(15)14-7-3-5-13-6-4-7/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).