(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid

C19H28N2O4 — CID 126451892

IUPAC(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CC(=O)O)NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-14(2)12-16(13-17(22)23)20-18(24)21-10-8-19(25,9-11-21)15-6-4-3-5-7-15/h3-7,14,16,25H,8-13H2,1-2H3,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyZRQOKKHUAJGMCB-MRXNPFEDSA-N
MW348.44 g/mol
LogP2.57
Rot. Bonds6

About (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid

(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid (PubChem CID 126451892) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
PubChem CID126451892
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
SMILESCC(C)C[C@H](CC(=O)O)NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-14(2)12-16(13-17(22)23)20-18(24)21-10-8-19(25,9-11-21)15-6-4-3-5-7-15/h3-7,14,16,25H,8-13H2,1-2H3,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyZRQOKKHUAJGMCB-MRXNPFEDSA-N
XLogP2.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid with MolForge

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Related Compounds

4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide
CID 125448737
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
(3S)-3-[[2-(1,3-dihydroisoindol-2-yl)acetyl]amino]-5-methylhexanoic acid
CID 126435853
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 144925800
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
(3S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
CID 126449738
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid?
The IUPAC name of (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid (CID 126451892) is (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid.
What is the SMILES notation for (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid?
The canonical SMILES for (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid is CC(C)C[C@H](CC(=O)O)NC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid?
The InChIKey is ZRQOKKHUAJGMCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)12-16(13-17(22)23)20-18(24)21-10-8-19(25,9-11-21)15-6-4-3-5-7-15/h3-7,14,16,25H,8-13H2,1-2H3,(H,20,24)(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid?
(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid is sourced from PubChem (CID 126451892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).