(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid

C18H24N2O4 — CID 164688368

IUPAC(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CC[C@@H]1O
InChIInChI=1S/C18H24N2O4/c21-16-8-11-20(12-15(16)18(23)24)17(22)13-4-6-14(7-5-13)19-9-2-1-3-10-19/h4-7,15-16,21H,1-3,8-12H2,(H,23,24)/t15-,16+/m1/s1
InChIKeyTUBDBFAJPFQBNK-CVEARBPZSA-N
MW332.40 g/mol
LogP1.58
Rot. Bonds3

About (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 164688368) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID164688368
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CC[C@@H]1O
InChIInChI=1S/C18H24N2O4/c21-16-8-11-20(12-15(16)18(23)24)17(22)13-4-6-14(7-5-13)19-9-2-1-3-10-19/h4-7,15-16,21H,1-3,8-12H2,(H,23,24)/t15-,16+/m1/s1
InChIKeyTUBDBFAJPFQBNK-CVEARBPZSA-N
XLogP1.58
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
4-[[1-(4-piperidin-1-ylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 166621031
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
1-[4-(difluoromethyl)benzoyl]piperidine-3,4-dicarboxylic acid
CID 167916924
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124952781
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid (CID 164688368) is (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is TUBDBFAJPFQBNK-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16-8-11-20(12-15(16)18(23)24)17(22)13-4-6-14(7-5-13)19-9-2-1-3-10-19/h4-7,15-16,21H,1-3,8-12H2,(H,23,24)/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-(4-piperidin-1-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 164688368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).