N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide

C22H28N2O2 — CID 21430565

IUPACN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21(18-8-3-1-4-9-18)12-7-15-24-16-13-20(14-17-24)23-22(26)19-10-5-2-6-11-19/h1-6,8-11,20-21,25H,7,12-17H2,(H,23,26)
InChIKeyRMFXVYPCROJQOL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.39
Rot. Bonds7

About N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide

N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide (PubChem CID 21430565) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide
PubChem CID21430565
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21(18-8-3-1-4-9-18)12-7-15-24-16-13-20(14-17-24)23-22(26)19-10-5-2-6-11-19/h1-6,8-11,20-21,25H,7,12-17H2,(H,23,26)
InChIKeyRMFXVYPCROJQOL-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
2-({[1-(Ethoxycarbonyl)-4-piperidinyl]amino}carbonyl)benzoic acid
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CID 2812763
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10161295
1-N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide (CID 21430565) is N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide is O=C(NC1CCN(CCCC(O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide?
The InChIKey is RMFXVYPCROJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21(18-8-3-1-4-9-18)12-7-15-24-16-13-20(14-17-24)23-22(26)19-10-5-2-6-11-19/h1-6,8-11,20-21,25H,7,12-17H2,(H,23,26).
What are the key properties of N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide?
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 21430565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).