N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide

C24H33N3O3 — CID 26341946

IUPACN-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(N(C)C[C@H](O)CO)CC3)cc2)c(C)c1
InChIInChI=1S/C24H33N3O3/c1-17-4-9-23(18(2)14-17)24(30)25-19-5-7-21(8-6-19)27-12-10-20(11-13-27)26(3)15-22(29)16-28/h4-9,14,20,22,28-29H,10-13,15-16H2,1-3H3,(H,25,30)/t22-/m0/s1
InChIKeyRGWMFFGLPVEENO-QFIPXVFZSA-N
MW411.55 g/mol
LogP2.81
Rot. Bonds7

About N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide

N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide (PubChem CID 26341946) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
PubChem CID26341946
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(N(C)C[C@H](O)CO)CC3)cc2)c(C)c1
InChIInChI=1S/C24H33N3O3/c1-17-4-9-23(18(2)14-17)24(30)25-19-5-7-21(8-6-19)27-12-10-20(11-13-27)26(3)15-22(29)16-28/h4-9,14,20,22,28-29H,10-13,15-16H2,1-3H3,(H,25,30)/t22-/m0/s1
InChIKeyRGWMFFGLPVEENO-QFIPXVFZSA-N
XLogP2.81
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42405693
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 126462471
2,4-dimethyl-N-[4-[4-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]piperidin-1-yl]phenyl]benzamide
CID 42246985
N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42277195
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
N-[4-[4-[(2,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42451584
N-[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26331342
2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzamide
CID 6965027
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide (CID 26341946) is N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCC(N(C)C[C@H](O)CO)CC3)cc2)c(C)c1.
What is the InChIKey of N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
The InChIKey is RGWMFFGLPVEENO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-4-9-23(18(2)14-17)24(30)25-19-5-7-21(8-6-19)27-12-10-20(11-13-27)26(3)15-22(29)16-28/h4-9,14,20,22,28-29H,10-13,15-16H2,1-3H3,(H,25,30)/t22-/m0/s1.
What are the key properties of N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide?
N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 26341946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).