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

C14H22N4O3 — CID 63294450

IUPAC3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
SMILESCn1ccnc1CNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H22N4O3/c1-17-8-6-15-12(17)9-16-14(21)18-7-2-3-11(10-18)4-5-13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeySYESMZFBBQIBNW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.21
Rot. Bonds5

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

3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 63294450) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
PubChem CID63294450
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
SMILESCn1ccnc1CNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H22N4O3/c1-17-8-6-15-12(17)9-16-14(21)18-7-2-3-11(10-18)4-5-13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeySYESMZFBBQIBNW-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
N-[(1-methylimidazol-2-yl)methyl]-4-[(2R)-oxolane-2-carbonyl]-1,4-diazepane-1-carboxamide
CID 126440224
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 63959654
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(1,2,4-triazin-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 114388651
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid (CID 63294450) is 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid is Cn1ccnc1CNC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is SYESMZFBBQIBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-8-6-15-12(17)9-16-14(21)18-7-2-3-11(10-18)4-5-13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid?
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 63294450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).