N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide

C20H31N3O2 — CID 140543807

IUPACN-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCCCNC(=O)CN1CCC(C)(CNC(=O)c2ccccc2)CC1C
InChIInChI=1S/C20H31N3O2/c1-4-11-21-18(24)14-23-12-10-20(3,13-16(23)2)15-22-19(25)17-8-6-5-7-9-17/h5-9,16H,4,10-15H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRRBZXDWHYWZVIO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.43
Rot. Bonds7

About N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide

N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 140543807) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID140543807
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCCCNC(=O)CN1CCC(C)(CNC(=O)c2ccccc2)CC1C
InChIInChI=1S/C20H31N3O2/c1-4-11-21-18(24)14-23-12-10-20(3,13-16(23)2)15-22-19(25)17-8-6-5-7-9-17/h5-9,16H,4,10-15H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRRBZXDWHYWZVIO-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 96569500
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
benzyl 4-[[(4-hydroxybenzoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 58933831
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide (CID 140543807) is N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide is CCCNC(=O)CN1CCC(C)(CNC(=O)c2ccccc2)CC1C.
What is the InChIKey of N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is RRBZXDWHYWZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-11-21-18(24)14-23-12-10-20(3,13-16(23)2)15-22-19(25)17-8-6-5-7-9-17/h5-9,16H,4,10-15H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide?
N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 140543807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).