N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide

C29H33N3O — CID 26354265

IUPACN-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C29H33N3O/c33-29(15-10-22-6-2-1-3-7-22)31-25-11-13-28(14-12-25)32-18-16-26(17-19-32)30-27-20-23-8-4-5-9-24(23)21-27/h1-9,11-14,26-27,30H,10,15-21H2,(H,31,33)
InChIKeyUPKXLHAFUYWOIF-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide

N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide (PubChem CID 26354265) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
PubChem CID26354265
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C29H33N3O/c33-29(15-10-22-6-2-1-3-7-22)31-25-11-13-28(14-12-25)32-18-16-26(17-19-32)30-27-20-23-8-4-5-9-24(23)21-27/h1-9,11-14,26-27,30H,10,15-21H2,(H,31,33)
InChIKeyUPKXLHAFUYWOIF-UHFFFAOYSA-N
XLogP4.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 42425569
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CID 26402333
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 45177864
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
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CID 112985401
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
CID 1302092
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide (CID 26354265) is N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The InChIKey is UPKXLHAFUYWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c33-29(15-10-22-6-2-1-3-7-22)31-25-11-13-28(14-12-25)32-18-16-26(17-19-32)30-27-20-23-8-4-5-9-24(23)21-27/h1-9,11-14,26-27,30H,10,15-21H2,(H,31,33).
What are the key properties of N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide has a molecular weight of 439.60 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 26354265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).