3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide

C15H19BrN2O2 — CID 84611984

IUPAC3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCCC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O2/c16-11-3-7-13(8-4-11)20-14-2-1-9-18(10-14)15(19)17-12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyOERVRFVQTSWIHC-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.16
Rot. Bonds3

About 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide

3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide (PubChem CID 84611984) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide
PubChem CID84611984
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCCC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O2/c16-11-3-7-13(8-4-11)20-14-2-1-9-18(10-14)15(19)17-12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyOERVRFVQTSWIHC-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
1-bromo-4-cyclopentyloxybenzene
CID 22599958
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyphenyl]-oxidoazanium
CID 142830467
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
4-[[3-(4-nitrophenoxy)azetidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024228
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 90628813

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide?
The IUPAC name of 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide (CID 84611984) is 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide is O=C(NC1CC1)N1CCCC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide?
The InChIKey is OERVRFVQTSWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-11-3-7-13(8-4-11)20-14-2-1-9-18(10-14)15(19)17-12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H,17,19).
What are the key properties of 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide?
3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide is sourced from PubChem (CID 84611984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).