4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid

C18H25N3O3 — CID 95872164

IUPAC4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
SMILESCc1ccc([C@H](C)CCN2CCC(C(=O)O)(n3ccnc3)CC2)o1
InChIInChI=1S/C18H25N3O3/c1-14(16-4-3-15(2)24-16)5-9-20-10-6-18(7-11-20,17(22)23)21-12-8-19-13-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyUAKFTAULNOYXNB-CQSZACIVSA-N
MW331.42 g/mol
LogP2.85
Rot. Bonds6

About 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid

4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid (PubChem CID 95872164) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
PubChem CID95872164
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
SMILESCc1ccc([C@H](C)CCN2CCC(C(=O)O)(n3ccnc3)CC2)o1
InChIInChI=1S/C18H25N3O3/c1-14(16-4-3-15(2)24-16)5-9-20-10-6-18(7-11-20,17(22)23)21-12-8-19-13-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyUAKFTAULNOYXNB-CQSZACIVSA-N
XLogP2.85
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
ethyl 4-(2-methoxyethyl)-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylate
CID 25461112
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
4-imidazol-1-yloxane-4-carboxylic acid
CID 82235125
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 134706799
5-methyl-3-[[4-[(3S)-3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99927931
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
ethyl 4-[[(2R)-6-[(3R)-3-(5-methylfuran-2-yl)butyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26282736
1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134430
4-imidazol-1-yl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 155879722
4-imidazol-1-yl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl]piperidine-4-carboxylic acid
CID 95871370

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid (CID 95872164) is 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid is Cc1ccc([C@H](C)CCN2CCC(C(=O)O)(n3ccnc3)CC2)o1.
What is the InChIKey of 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid?
The InChIKey is UAKFTAULNOYXNB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(16-4-3-15(2)24-16)5-9-20-10-6-18(7-11-20,17(22)23)21-12-8-19-13-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95872164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).