2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide

C31H47N3O2 — CID 11306465

IUPAC2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide
SMILESC[C@@H](CO)NCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H47N3O2/c1-26(25-35)33-21-13-5-3-2-4-6-14-22-34-23-19-29(20-24-34)31(30(32)36,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-12,15-18,26,29,33,35H,2-6,13-14,19-25H2,1H3,(H2,32,36)/t26-/m0/s1
InChIKeyOKMDTCVSLBXEQY-SANMLTNESA-N
MW493.74 g/mol
LogP4.87
Rot. Bonds16

About 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide

2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide (PubChem CID 11306465) has the molecular formula C31H47N3O2 and a molecular weight of 493.74 g/mol. Its IUPAC name is 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide
PubChem CID11306465
Molecular FormulaC31H47N3O2
Molecular Weight493.74 g/mol
Exact Mass493.37
IUPAC Name2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide
SMILESC[C@@H](CO)NCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H47N3O2/c1-26(25-35)33-21-13-5-3-2-4-6-14-22-34-23-19-29(20-24-34)31(30(32)36,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-12,15-18,26,29,33,35H,2-6,13-14,19-25H2,1H3,(H2,32,36)/t26-/m0/s1
InChIKeyOKMDTCVSLBXEQY-SANMLTNESA-N
XLogP4.87
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.74
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-[9-(1-hydroxypropan-2-ylamino)nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11260152
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[1-[5-[[2-(dimethylamino)acetyl]amino]pentyl]piperidin-4-yl]-2,2-diphenylacetamide
CID 143136786
2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide
CID 141228600
2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11408589
2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-(7-oxoheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
CID 87396933
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006

Frequently Asked Questions

What is the IUPAC name of 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide (CID 11306465) is 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide is C[C@@H](CO)NCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide?
The InChIKey is OKMDTCVSLBXEQY-SANMLTNESA-N. The full InChI is InChI=1S/C31H47N3O2/c1-26(25-35)33-21-13-5-3-2-4-6-14-22-34-23-19-29(20-24-34)31(30(32)36,27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-12,15-18,26,29,33,35H,2-6,13-14,19-25H2,1H3,(H2,32,36)/t26-/m0/s1.
What are the key properties of 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide?
2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide has a molecular weight of 493.74 g/mol, XLogP of 4.87, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11306465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).