N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide

C17H22N4O2 — CID 108557889

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(C(=O)CC#N)CC2)cc1
InChIInChI=1S/C17H22N4O2/c1-20(2)15-5-3-13(4-6-15)17(23)19-14-8-11-21(12-9-14)16(22)7-10-18/h3-6,14H,7-9,11-12H2,1-2H3,(H,19,23)
InChIKeyDHMYULUYGLVCLL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide (PubChem CID 108557889) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
PubChem CID108557889
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(C(=O)CC#N)CC2)cc1
InChIInChI=1S/C17H22N4O2/c1-20(2)15-5-3-13(4-6-15)17(23)19-14-8-11-21(12-9-14)16(22)7-10-18/h3-6,14H,7-9,11-12H2,1-2H3,(H,19,23)
InChIKeyDHMYULUYGLVCLL-UHFFFAOYSA-N
XLogP1.39
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
3-bromo-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzamide
CID 108550869
4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108557918
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide (CID 108557889) is N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CCN(C(=O)CC#N)CC2)cc1.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
The InChIKey is DHMYULUYGLVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(2)15-5-3-13(4-6-15)17(23)19-14-8-11-21(12-9-14)16(22)7-10-18/h3-6,14H,7-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 108557889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).