N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide

C16H23BrN2O — CID 81359749

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-5-7-14(17)8-6-13)19-16(20)10-9-15-4-2-3-11-18-15/h5-8,12,15,18H,2-4,9-11H2,1H3,(H,19,20)/t12-,15?/m1/s1
InChIKeyGXBFTKYAFZRUOR-KEKZHRQWSA-N
MW339.28 g/mol
LogP3.55
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide (PubChem CID 81359749) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
PubChem CID81359749
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-5-7-14(17)8-6-13)19-16(20)10-9-15-4-2-3-11-18-15/h5-8,12,15,18H,2-4,9-11H2,1H3,(H,19,20)/t12-,15?/m1/s1
InChIKeyGXBFTKYAFZRUOR-KEKZHRQWSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613634
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-(1-phenylpropyl)-3-piperidin-2-ylpropanamide
CID 62305915
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-cyclooctylazanium
CID 9265234

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide (CID 81359749) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide is C[C@@H](NC(=O)CCC1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide?
The InChIKey is GXBFTKYAFZRUOR-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(13-5-7-14(17)8-6-13)19-16(20)10-9-15-4-2-3-11-18-15/h5-8,12,15,18H,2-4,9-11H2,1H3,(H,19,20)/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 81359749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).