1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide

C18H25BrN2O3 — CID 49402998

IUPAC1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)CCOc2cccc(Br)c2)C1
InChIInChI=1S/C18H25BrN2O3/c1-2-9-20-18(23)14-5-4-10-21(13-14)17(22)8-11-24-16-7-3-6-15(19)12-16/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3,(H,20,23)
InChIKeyQGIZNDGCUJTKRQ-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.98
Rot. Bonds7

About 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide

1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49402998) has the molecular formula C18H25BrN2O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
PubChem CID49402998
Molecular FormulaC18H25BrN2O3
Molecular Weight397.31 g/mol
Exact Mass396.10
IUPAC Name1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)CCOc2cccc(Br)c2)C1
InChIInChI=1S/C18H25BrN2O3/c1-2-9-20-18(23)14-5-4-10-21(13-14)17(22)8-11-24-16-7-3-6-15(19)12-16/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3,(H,20,23)
InChIKeyQGIZNDGCUJTKRQ-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
3-(3-bromophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119539674
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide (CID 49402998) is 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)CCOc2cccc(Br)c2)C1.
What is the InChIKey of 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is QGIZNDGCUJTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3/c1-2-9-20-18(23)14-5-4-10-21(13-14)17(22)8-11-24-16-7-3-6-15(19)12-16/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3,(H,20,23).
What are the key properties of 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide?
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 397.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49402998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).