4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide

C21H33N3O2 — CID 119824648

IUPAC4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)C1CCNCC1
InChIInChI=1S/C21H33N3O2/c1-5-14-24(19-10-12-22-13-11-19)21(26)18-8-6-17(7-9-18)15-23(4)20(25)16(2)3/h6-9,16,19,22H,5,10-15H2,1-4H3
InChIKeyLZDYNGSIROZBJZ-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.91
Rot. Bonds7

About 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide

4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119824648) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119824648
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)C1CCNCC1
InChIInChI=1S/C21H33N3O2/c1-5-14-24(19-10-12-22-13-11-19)21(26)18-8-6-17(7-9-18)15-23(4)20(25)16(2)3/h6-9,16,19,22H,5,10-15H2,1-4H3
InChIKeyLZDYNGSIROZBJZ-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide (CID 119824648) is 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)C1CCNCC1.
What is the InChIKey of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is LZDYNGSIROZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-14-24(19-10-12-22-13-11-19)21(26)18-8-6-17(7-9-18)15-23(4)20(25)16(2)3/h6-9,16,19,22H,5,10-15H2,1-4H3.
What are the key properties of 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide?
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 359.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119824648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).