4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid

C17H20N4O3 — CID 122019610

IUPAC4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C17H20N4O3/c22-16(23)14-3-1-12(2-4-14)11-20-17(24)21-9-5-13(6-10-21)15-18-7-8-19-15/h1-4,7-8,13H,5-6,9-11H2,(H,18,19)(H,20,24)(H,22,23)
InChIKeyYDMNXHKUPGJIIS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.20
Rot. Bonds4

About 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid

4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122019610) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122019610
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C17H20N4O3/c22-16(23)14-3-1-12(2-4-14)11-20-17(24)21-9-5-13(6-10-21)15-18-7-8-19-15/h1-4,7-8,13H,5-6,9-11H2,(H,18,19)(H,20,24)(H,22,23)
InChIKeyYDMNXHKUPGJIIS-UHFFFAOYSA-N
XLogP2.20
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
4-[(1H-imidazole-2-carbonylamino)methyl]benzoic acid
CID 110466534
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 166222077
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
4-[[[4-[3-(diethylamino)propyl]piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020849
4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020743

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid (CID 122019610) is 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1.
What is the InChIKey of 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is YDMNXHKUPGJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(23)14-3-1-12(2-4-14)11-20-17(24)21-9-5-13(6-10-21)15-18-7-8-19-15/h1-4,7-8,13H,5-6,9-11H2,(H,18,19)(H,20,24)(H,22,23).
What are the key properties of 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122019610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).