N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C31H37N3O2 — CID 16755870

IUPACN-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C31H37N3O2/c1-23(2)30(35)33-28-15-9-14-27(22-28)24-16-19-34(20-17-24)21-18-32-31(36)29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,22-24,29H,16-21H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyVSKUPRJZZDVXEM-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.41
Rot. Bonds9

About N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 16755870) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID16755870
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC NameN-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C31H37N3O2/c1-23(2)30(35)33-28-15-9-14-27(22-28)24-16-19-34(20-17-24)21-18-32-31(36)29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,22-24,29H,16-21H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyVSKUPRJZZDVXEM-UHFFFAOYSA-N
XLogP5.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 16755870) is N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is VSKUPRJZZDVXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-23(2)30(35)33-28-15-9-14-27(22-28)24-16-19-34(20-17-24)21-18-32-31(36)29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,22-24,29H,16-21H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 483.66 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-[(2,2-diphenylacetyl)amino]ethyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 16755870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).