1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide

C24H32N2O3 — CID 3519556

IUPAC1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-24(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)29-17-21(27)16-26-14-12-18(13-15-26)23(25)28/h3-11,18,21,27H,12-17H2,1-2H3,(H2,25,28)
InChIKeyKKUDLPSRCLHUNX-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.95
Rot. Bonds8

About 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide

1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide (PubChem CID 3519556) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
PubChem CID3519556
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-24(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)29-17-21(27)16-26-14-12-18(13-15-26)23(25)28/h3-11,18,21,27H,12-17H2,1-2H3,(H2,25,28)
InChIKeyKKUDLPSRCLHUNX-UHFFFAOYSA-N
XLogP2.95
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
(2R)-1-(aziridin-1-yl)-3-[4-[2-[4-[(2S)-3-fluoro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 121399577
(2R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 30734616
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926883
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide (CID 3519556) is 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide is CC(C)(c1ccccc1)c1ccc(OCC(O)CN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide?
The InChIKey is KKUDLPSRCLHUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-24(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)29-17-21(27)16-26-14-12-18(13-15-26)23(25)28/h3-11,18,21,27H,12-17H2,1-2H3,(H2,25,28).
What are the key properties of 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide?
1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3519556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).