N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide

C19H30N2O4 — CID 70666352

IUPACN-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
SMILESCc1cc(OCCCC2CCNCC2)ccc1C(=O)NC(CO)CO
InChIInChI=1S/C19H30N2O4/c1-14-11-17(25-10-2-3-15-6-8-20-9-7-15)4-5-18(14)19(24)21-16(12-22)13-23/h4-5,11,15-16,20,22-23H,2-3,6-10,12-13H2,1H3,(H,21,24)
InChIKeyNWYXPXCZVKKALE-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.24
Rot. Bonds9

About N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide

N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide (PubChem CID 70666352) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
PubChem CID70666352
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
SMILESCc1cc(OCCCC2CCNCC2)ccc1C(=O)NC(CO)CO
InChIInChI=1S/C19H30N2O4/c1-14-11-17(25-10-2-3-15-6-8-20-9-7-15)4-5-18(14)19(24)21-16(12-22)13-23/h4-5,11,15-16,20,22-23H,2-3,6-10,12-13H2,1H3,(H,21,24)
InChIKeyNWYXPXCZVKKALE-UHFFFAOYSA-N
XLogP1.24
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
CID 170313042
4-[3-[1-[N'-(cyclobutanecarbonyl)carbamimidoyl]piperidin-4-yl]propoxy]-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 90753596
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 44610271
4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 24989778
4-[3-[1-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354776
4-[3-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 76731075
4-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-N-[(2S)-2,3-dihydroxypropyl]-2-methylbenzamide
CID 66982939
4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 58354807
4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-N-[(2R)-2,3-dihydroxypropyl]-2-methylbenzamide
CID 66983171
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[3-[1-[5-(3-methyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]benzamide
CID 58354849
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide (CID 70666352) is N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide is Cc1cc(OCCCC2CCNCC2)ccc1C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide?
The InChIKey is NWYXPXCZVKKALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14-11-17(25-10-2-3-15-6-8-20-9-7-15)4-5-18(14)19(24)21-16(12-22)13-23/h4-5,11,15-16,20,22-23H,2-3,6-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide?
N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide has a molecular weight of 350.46 g/mol, XLogP of 1.24, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide is sourced from PubChem (CID 70666352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).