N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide

C28H30N2O2 — CID 46464176

IUPACN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c31-26(17-16-22-10-4-1-5-11-22)29-25-18-20-30(21-19-25)28(32)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,27H,16-21H2,(H,29,31)
InChIKeyRTJUUPGHPODTPU-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46464176) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID46464176
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c31-26(17-16-22-10-4-1-5-11-22)29-25-18-20-30(21-19-25)28(32)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,27H,16-21H2,(H,29,31)
InChIKeyRTJUUPGHPODTPU-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide (CID 46464176) is N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is RTJUUPGHPODTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c31-26(17-16-22-10-4-1-5-11-22)29-25-18-20-30(21-19-25)28(32)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,27H,16-21H2,(H,29,31).
What are the key properties of N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 426.56 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46464176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).