N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

C20H28N4O2 — CID 55851412

IUPACN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1
InChIInChI=1S/C20H28N4O2/c1-15-7-5-6-8-17(15)19(26)22-16-9-11-24(12-10-16)13-18(25)23(4)20(2,3)14-21/h5-8,16H,9-13H2,1-4H3,(H,22,26)
InChIKeyXURFZCOUKUCDIZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 55851412) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID55851412
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1
InChIInChI=1S/C20H28N4O2/c1-15-7-5-6-8-17(15)19(26)22-16-9-11-24(12-10-16)13-18(25)23(4)20(2,3)14-21/h5-8,16H,9-13H2,1-4H3,(H,22,26)
InChIKeyXURFZCOUKUCDIZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 87017011
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide
CID 86873844
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (CID 55851412) is N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1.
What is the InChIKey of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is XURFZCOUKUCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-7-5-6-8-17(15)19(26)22-16-9-11-24(12-10-16)13-18(25)23(4)20(2,3)14-21/h5-8,16H,9-13H2,1-4H3,(H,22,26).
What are the key properties of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55851412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).