N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide

C23H28BrN3O3 — CID 32827783

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
SMILESO=C(CN1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H28BrN3O3/c24-18-6-4-9-21(16-18)30-15-5-10-22(28)25-20-11-13-27(14-12-20)17-23(29)26-19-7-2-1-3-8-19/h1-4,6-9,16,20H,5,10-15,17H2,(H,25,28)(H,26,29)
InChIKeyYGRINVBCVVFQGX-UHFFFAOYSA-N
MW474.40 g/mol
LogP3.83
Rot. Bonds9

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide (PubChem CID 32827783) has the molecular formula C23H28BrN3O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
PubChem CID32827783
Molecular FormulaC23H28BrN3O3
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
SMILESO=C(CN1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H28BrN3O3/c24-18-6-4-9-21(16-18)30-15-5-10-22(28)25-20-11-13-27(14-12-20)17-23(29)26-19-7-2-1-3-8-19/h1-4,6-9,16,20H,5,10-15,17H2,(H,25,28)(H,26,29)
InChIKeyYGRINVBCVVFQGX-UHFFFAOYSA-N
XLogP3.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
CID 42993423
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 51127778
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 16613375
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
CID 55744540

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide (CID 32827783) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide is O=C(CN1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide?
The InChIKey is YGRINVBCVVFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3/c24-18-6-4-9-21(16-18)30-15-5-10-22(28)25-20-11-13-27(14-12-20)17-23(29)26-19-7-2-1-3-8-19/h1-4,6-9,16,20H,5,10-15,17H2,(H,25,28)(H,26,29).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide has a molecular weight of 474.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide is sourced from PubChem (CID 32827783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).