(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide

C17H26N2O3 — CID 97012313

IUPAC(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)16(21)11-17(22)18-13-3-5-14(6-4-13)19-9-7-15(20)8-10-19/h3-6,12,15-16,20-21H,7-11H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeyLFJIGYURLOUQNR-INIZCTEOSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds5

About (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide

(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide (PubChem CID 97012313) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide
PubChem CID97012313
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)16(21)11-17(22)18-13-3-5-14(6-4-13)19-9-7-15(20)8-10-19/h3-6,12,15-16,20-21H,7-11H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeyLFJIGYURLOUQNR-INIZCTEOSA-N
XLogP1.99
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide (CID 97012313) is (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide is CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide?
The InChIKey is LFJIGYURLOUQNR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)16(21)11-17(22)18-13-3-5-14(6-4-13)19-9-7-15(20)8-10-19/h3-6,12,15-16,20-21H,7-11H2,1-2H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide?
(3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 97012313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).