3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide

C17H26BrN3O — CID 120504323

IUPAC3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN3O/c1-12(13(2)19)17(22)20-16-7-9-21(10-8-16)11-14-3-5-15(18)6-4-14/h3-6,12-13,16H,7-11,19H2,1-2H3,(H,20,22)
InChIKeyUOYUVURBNHOHFN-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.51
Rot. Bonds5

About 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide

3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide (PubChem CID 120504323) has the molecular formula C17H26BrN3O and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
PubChem CID120504323
Molecular FormulaC17H26BrN3O
Molecular Weight368.32 g/mol
Exact Mass367.13
IUPAC Name3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN3O/c1-12(13(2)19)17(22)20-16-7-9-21(10-8-16)11-14-3-5-15(18)6-4-14/h3-6,12-13,16H,7-11,19H2,1-2H3,(H,20,22)
InChIKeyUOYUVURBNHOHFN-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide (CID 120504323) is 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide is CC(N)C(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide?
The InChIKey is UOYUVURBNHOHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O/c1-12(13(2)19)17(22)20-16-7-9-21(10-8-16)11-14-3-5-15(18)6-4-14/h3-6,12-13,16H,7-11,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide?
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide has a molecular weight of 368.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 120504323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).