N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide

C19H26BrClN2O3 — CID 108565383

IUPACN-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C19H26BrClN2O3/c1-2-4-18(24)22-15-8-10-23(11-9-15)19(25)5-3-12-26-17-7-6-14(20)13-16(17)21/h6-7,13,15H,2-5,8-12H2,1H3,(H,22,24)
InChIKeyIHLTVZAABZLCOQ-UHFFFAOYSA-N
MW445.79 g/mol
LogP4.17
Rot. Bonds8

About N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide

N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide (PubChem CID 108565383) has the molecular formula C19H26BrClN2O3 and a molecular weight of 445.79 g/mol. Its IUPAC name is N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
PubChem CID108565383
Molecular FormulaC19H26BrClN2O3
Molecular Weight445.79 g/mol
Exact Mass444.08
IUPAC NameN-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C19H26BrClN2O3/c1-2-4-18(24)22-15-8-10-23(11-9-15)19(25)5-3-12-26-17-7-6-14(20)13-16(17)21/h6-7,13,15H,2-5,8-12H2,1H3,(H,22,24)
InChIKeyIHLTVZAABZLCOQ-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553543
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
tert-butyl N-[2-[4-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916045
4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644834
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-(1-acetylpiperidin-4-yl)-4-(2-bromo-4-tert-butylphenoxy)butanamide
CID 108561147
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
CID 108882317
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide (CID 108565383) is N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)CCCOc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
The InChIKey is IHLTVZAABZLCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrClN2O3/c1-2-4-18(24)22-15-8-10-23(11-9-15)19(25)5-3-12-26-17-7-6-14(20)13-16(17)21/h6-7,13,15H,2-5,8-12H2,1H3,(H,22,24).
What are the key properties of N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide?
N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide has a molecular weight of 445.79 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108565383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).