N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide

C16H21N3O — CID 165351593

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
SMILESCC1CC(NC(=O)CC#N)CCN1Cc1ccccc1
InChIInChI=1S/C16H21N3O/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,7-8,10-12H2,1H3,(H,18,20)
InChIKeySFYTXKYTWAPGAN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds4

About N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide

N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide (PubChem CID 165351593) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
PubChem CID165351593
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
SMILESCC1CC(NC(=O)CC#N)CCN1Cc1ccccc1
InChIInChI=1S/C16H21N3O/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,7-8,10-12H2,1H3,(H,18,20)
InChIKeySFYTXKYTWAPGAN-UHFFFAOYSA-N
XLogP2.07
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide (CID 165351593) is N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide is CC1CC(NC(=O)CC#N)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide?
The InChIKey is SFYTXKYTWAPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/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,7-8,10-12H2,1H3,(H,18,20).
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide is sourced from PubChem (CID 165351593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).