N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide

C21H25BrN2O2 — CID 42993423

IUPACN-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
SMILESO=C(CCOc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25)
InChIKeyRQNMDZGDUXLMJW-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.00
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide (PubChem CID 42993423) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
PubChem CID42993423
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide
SMILESO=C(CCOc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25)
InChIKeyRQNMDZGDUXLMJW-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
3-(3-bromophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 51127778
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide (CID 42993423) is N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide is O=C(CCOc1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide?
The InChIKey is RQNMDZGDUXLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c22-18-7-4-8-20(15-18)26-14-11-21(25)23-19-9-12-24(13-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide has a molecular weight of 417.35 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3-bromophenoxy)propanamide is sourced from PubChem (CID 42993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).