N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide

C17H26N2O3 — CID 134231528

IUPACN-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
SMILESCCOCC(O)CNC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-2-22-12-16(20)11-19-17(21)15-5-3-4-14(10-15)13-6-8-18-9-7-13/h3-5,10,13,16,18,20H,2,6-9,11-12H2,1H3,(H,19,21)
InChIKeyHGGQZWBUSVQROT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.28
Rot. Bonds7

About N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide

N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide (PubChem CID 134231528) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
PubChem CID134231528
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
SMILESCCOCC(O)CNC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-2-22-12-16(20)11-19-17(21)15-5-3-4-14(10-15)13-6-8-18-9-7-13/h3-5,10,13,16,18,20H,2,6-9,11-12H2,1H3,(H,19,21)
InChIKeyHGGQZWBUSVQROT-UHFFFAOYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
CID 125171716
3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
CID 126440716
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
3-(1,1-dimethylpiperidin-1-ium-4-yl)-N-[2,3-di(tetradecoxy)propyl]benzamide iodide
CID 134231499
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide?
The IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide (CID 134231528) is N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide?
The canonical SMILES for N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide is CCOCC(O)CNC(=O)c1cccc(C2CCNCC2)c1.
What is the InChIKey of N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide?
The InChIKey is HGGQZWBUSVQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-22-12-16(20)11-19-17(21)15-5-3-4-14(10-15)13-6-8-18-9-7-13/h3-5,10,13,16,18,20H,2,6-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide?
N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide is sourced from PubChem (CID 134231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).