N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide

C34H43N3O2 — CID 142203741

IUPACN-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C34H43N3O2/c1-2-32(38)36-31-19-13-18-30(26-31)27-20-24-37(25-21-27)23-12-4-3-11-22-35-34(39)33(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,13-19,26-27,33H,2-4,11-12,20-25H2,1H3,(H,35,39)(H,36,38)
InChIKeyNICIUSBMIMZBKZ-UHFFFAOYSA-N
MW525.74 g/mol
LogP6.72
Rot. Bonds13

About N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide

N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 142203741) has the molecular formula C34H43N3O2 and a molecular weight of 525.74 g/mol. Its IUPAC name is N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
PubChem CID142203741
Molecular FormulaC34H43N3O2
Molecular Weight525.74 g/mol
Exact Mass525.34
IUPAC NameN-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C34H43N3O2/c1-2-32(38)36-31-19-13-18-30(26-31)27-20-24-37(25-21-27)23-12-4-3-11-22-35-34(39)33(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,13-19,26-27,33H,2-4,11-12,20-25H2,1H3,(H,35,39)(H,36,38)
InChIKeyNICIUSBMIMZBKZ-UHFFFAOYSA-N
XLogP6.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
CID 142926195
benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
CID 69192330
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
CID 22049474
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
3,5-dichloro-N-[4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl]benzamide
CID 22048745
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048834
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-(3-phenoxy-3-phenylpropyl)piperidin-4-yl]phenyl]acetamide;toluene
CID 142106880
N-[3-[1-[(3S)-3-(tert-butylcarbamothioylamino)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 58651275

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide (CID 142203741) is N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is NICIUSBMIMZBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O2/c1-2-32(38)36-31-19-13-18-30(26-31)27-20-24-37(25-21-27)23-12-4-3-11-22-35-34(39)33(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,13-19,26-27,33H,2-4,11-12,20-25H2,1H3,(H,35,39)(H,36,38).
What are the key properties of N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide?
N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 525.74 g/mol, XLogP of 6.72, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 142203741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).