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

C17H25BrN2O — CID 83200389

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyTXDPPIUYCUNCHZ-NBFOIZRFSA-N
MW353.30 g/mol
LogP3.65
Rot. Bonds4

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

N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83200389) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83200389
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyTXDPPIUYCUNCHZ-NBFOIZRFSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83200384
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034283
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 83200389) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is C[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is TXDPPIUYCUNCHZ-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 353.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83200389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).