2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 83199902

IUPAC2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C(=O)NCC1CCCC1C(=O)O)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-16(2,12-6-4-8-17-10-12)15(21)18-9-11-5-3-7-13(11)14(19)20/h11-13,17H,3-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBSWCRAQEEIGDDB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.63
Rot. Bonds5

About 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 83199902) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID83199902
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C(=O)NCC1CCCC1C(=O)O)C1CCCNC1
InChIInChI=1S/C16H28N2O3/c1-16(2,12-6-4-8-17-10-12)15(21)18-9-11-5-3-7-13(11)14(19)20/h11-13,17H,3-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBSWCRAQEEIGDDB-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031256
5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
CID 83199780
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 83198584
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198573
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031263
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 106236621

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 83199902) is 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid is CC(C)(C(=O)NCC1CCCC1C(=O)O)C1CCCNC1.
What is the InChIKey of 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BSWCRAQEEIGDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,12-6-4-8-17-10-12)15(21)18-9-11-5-3-7-13(11)14(19)20/h11-13,17H,3-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83199902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).