N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide

C19H27N3O2 — CID 95308015

IUPACN-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
SMILESC[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCC#N
InChIInChI=1S/C19H27N3O2/c1-16-8-5-6-13-22(16)14-15-24-18-10-4-3-9-17(18)19(23)21(2)12-7-11-20/h3-4,9-10,16H,5-8,12-15H2,1-2H3/t16-/m1/s1
InChIKeyBZTNDHAWNYBOLL-MRXNPFEDSA-N
MW329.44 g/mol
LogP2.93
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide

N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide (PubChem CID 95308015) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
PubChem CID95308015
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
SMILESC[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCC#N
InChIInChI=1S/C19H27N3O2/c1-16-8-5-6-13-22(16)14-15-24-18-10-4-3-9-17(18)19(23)21(2)12-7-11-20/h3-4,9-10,16H,5-8,12-15H2,1-2H3/t16-/m1/s1
InChIKeyBZTNDHAWNYBOLL-MRXNPFEDSA-N
XLogP2.93
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308016
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
N'-(cyclopropanecarbonyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzohydrazide
CID 95151097
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046
2-[3-(2-methylpyrrolidin-1-yl)propoxy]benzonitrile
CID 54882660
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472760
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide (CID 95308015) is N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide is C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide?
The InChIKey is BZTNDHAWNYBOLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-8-5-6-13-22(16)14-15-24-18-10-4-3-9-17(18)19(23)21(2)12-7-11-20/h3-4,9-10,16H,5-8,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide?
N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 95308015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).