N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide

C22H27BrN2O — CID 57397726

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyUOVRVGWUOPAARV-KRWDZBQOSA-N
MW415.38 g/mol
LogP4.90
Rot. Bonds6

About N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57397726) has the molecular formula C22H27BrN2O and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57397726
Molecular FormulaC22H27BrN2O
Molecular Weight415.38 g/mol
Exact Mass414.13
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyUOVRVGWUOPAARV-KRWDZBQOSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Benzyl-piperidin-4-yl)-2-(3-bromo-phenyl)-acetamide
CID 10023073
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
2-(3-Bromo-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9887523
2-(3-Bromo-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9936242
(+)-1-(1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidin-1-yl)ethanone
CID 24739387
1-[3-[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]propan-1-one
CID 24739888
(3R,5S)-5-(4-bromophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565155
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidin-6-one
CID 44580939
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130
2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 2649393
2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4587627
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883221

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57397726) is N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide is C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is UOVRVGWUOPAARV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27BrN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 415.38 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57397726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).