(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide

C17H26BrN3O2 — CID 96517354

IUPAC(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide
SMILESCOCCN1CCC(N[C@H](C)C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H26BrN3O2/c1-13(17(22)20-16-5-3-4-14(18)12-16)19-15-6-8-21(9-7-15)10-11-23-2/h3-5,12-13,15,19H,6-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyDUGPMRZUIXMKKT-CYBMUJFWSA-N
MW384.32 g/mol
LogP2.48
Rot. Bonds7

About (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide

(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide (PubChem CID 96517354) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide
PubChem CID96517354
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC Name(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide
SMILESCOCCN1CCC(N[C@H](C)C(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H26BrN3O2/c1-13(17(22)20-16-5-3-4-14(18)12-16)19-15-6-8-21(9-7-15)10-11-23-2/h3-5,12-13,15,19H,6-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyDUGPMRZUIXMKKT-CYBMUJFWSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
methyl (2R)-3-(3-bromoanilino)-2-cyclopentyl-3-oxopropanoate
CID 1331267
cis-(1R,2S)-2-[[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]-N-methylcyclopentane-1-carboxamide
CID 124873357
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 60722361
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 131949645

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide (CID 96517354) is (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide is COCCN1CCC(N[C@H](C)C(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide?
The InChIKey is DUGPMRZUIXMKKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-13(17(22)20-16-5-3-4-14(18)12-16)19-15-6-8-21(9-7-15)10-11-23-2/h3-5,12-13,15,19H,6-11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide?
(2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide has a molecular weight of 384.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propanamide is sourced from PubChem (CID 96517354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).