N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide

C16H19BrN2O — CID 131167223

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
SMILESCC1CC(NC(=O)C#CBr)CCN1Cc1ccccc1
InChIInChI=1S/C16H19BrN2O/c1-13-11-15(18-16(20)7-9-17)8-10-19(13)12-14-5-3-2-4-6-14/h2-6,13,15H,8,10-12H2,1H3,(H,18,20)
InChIKeyBHXVPLATOLWEOD-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.51
Rot. Bonds3

About N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide

N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide (PubChem CID 131167223) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
PubChem CID131167223
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
SMILESCC1CC(NC(=O)C#CBr)CCN1Cc1ccccc1
InChIInChI=1S/C16H19BrN2O/c1-13-11-15(18-16(20)7-9-17)8-10-19(13)12-14-5-3-2-4-6-14/h2-6,13,15H,8,10-12H2,1H3,(H,18,20)
InChIKeyBHXVPLATOLWEOD-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
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CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
N-(1-benzyl-2-methylpiperidin-4-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 122137724
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide (CID 131167223) is N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide is CC1CC(NC(=O)C#CBr)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide?
The InChIKey is BHXVPLATOLWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-13-11-15(18-16(20)7-9-17)8-10-19(13)12-14-5-3-2-4-6-14/h2-6,13,15H,8,10-12H2,1H3,(H,18,20).
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide has a molecular weight of 335.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide is sourced from PubChem (CID 131167223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).