2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid

C14H23N3O2 — CID 83197847

IUPAC2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
SMILESCn1ccnc1CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,13(18)19)11-5-4-7-17(9-11)10-12-15-6-8-16(12)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyXQDYQSGUJAVDMW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid (PubChem CID 83197847) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
PubChem CID83197847
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
SMILESCn1ccnc1CN1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,13(18)19)11-5-4-7-17(9-11)10-12-15-6-8-16(12)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyXQDYQSGUJAVDMW-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
2-[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199311
2-methyl-2-[1-(1,2-oxazol-4-ylmethyl)piperidin-3-yl]propanoic acid
CID 83197303
2-methyl-2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 83199001
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
N-ethoxy-N-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]acetamide
CID 156834820
1-cyclopentyl-3-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 56754673
1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95218100
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid (CID 83197847) is 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid is Cn1ccnc1CN1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid?
The InChIKey is XQDYQSGUJAVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,13(18)19)11-5-4-7-17(9-11)10-12-15-6-8-16(12)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83197847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).