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

C15H21BrN2O — CID 81359105

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
SMILESC[C@@H](NC(=O)CC1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUWGIFRBBZTUAAB-LLVKDONJSA-N
MW325.25 g/mol
LogP3.02
Rot. Bonds4

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

N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide (PubChem CID 81359105) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
PubChem CID81359105
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
SMILESC[C@@H](NC(=O)CC1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUWGIFRBBZTUAAB-LLVKDONJSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide (CID 81359105) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide is C[C@@H](NC(=O)CC1CCNCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide?
The InChIKey is UWGIFRBBZTUAAB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide has a molecular weight of 325.25 g/mol, XLogP of 3.02, 4 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]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 81359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).