N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

C22H31N3O2 — CID 87017011

IUPACN-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-15-4-2-3-5-19(15)22(27)23-18-10-12-25(13-11-18)14-20(26)24-21(16-6-7-16)17-8-9-17/h2-5,16-18,21H,6-14H2,1H3,(H,23,27)(H,24,26)
InChIKeySHYWNGJEPLYKIW-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.49
Rot. Bonds7

About N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 87017011) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID87017011
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-15-4-2-3-5-19(15)22(27)23-18-10-12-25(13-11-18)14-20(26)24-21(16-6-7-16)17-8-9-17/h2-5,16-18,21H,6-14H2,1H3,(H,23,27)(H,24,26)
InChIKeySHYWNGJEPLYKIW-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
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
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752
methyl 3-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55849627
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765
N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide
CID 86873844
N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 55851412

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (CID 87017011) is N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(CC(=O)NC(C2CC2)C2CC2)CC1.
What is the InChIKey of N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is SHYWNGJEPLYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15-4-2-3-5-19(15)22(27)23-18-10-12-25(13-11-18)14-20(26)24-21(16-6-7-16)17-8-9-17/h2-5,16-18,21H,6-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 369.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 87017011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).