N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide

C16H22BrClN2O2 — CID 108882317

IUPACN-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrClN2O2/c1-12-5-8-20(9-6-12)16(21)19-7-2-10-22-15-4-3-13(17)11-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyVVBMONRNVMLFSZ-UHFFFAOYSA-N
MW389.72 g/mol
LogP4.31
Rot. Bonds5

About N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide

N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide (PubChem CID 108882317) has the molecular formula C16H22BrClN2O2 and a molecular weight of 389.72 g/mol. Its IUPAC name is N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
PubChem CID108882317
Molecular FormulaC16H22BrClN2O2
Molecular Weight389.72 g/mol
Exact Mass388.06
IUPAC NameN-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrClN2O2/c1-12-5-8-20(9-6-12)16(21)19-7-2-10-22-15-4-3-13(17)11-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyVVBMONRNVMLFSZ-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108882634
4-(benzenesulfonyl)-N-[3-(4-bromo-2-chlorophenoxy)propyl]piperazine-1-carboxamide
CID 108882635
3-[3-(4-bromo-2-chlorophenoxy)propyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108882335
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108882573
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553543
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565383

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide (CID 108882317) is N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is VVBMONRNVMLFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O2/c1-12-5-8-20(9-6-12)16(21)19-7-2-10-22-15-4-3-13(17)11-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21).
What are the key properties of N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide?
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 389.72 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108882317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).