3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide

C16H24N2O3 — CID 119386846

IUPAC3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
SMILESCOCCCOc1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-10-3-11-21-15-5-2-4-13(12-15)16(19)18-14-6-8-17-9-7-14/h2,4-5,12,14,17H,3,6-11H2,1H3,(H,18,19)
InChIKeySJFCDOKCOAOIRY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds7

About 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide

3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide (PubChem CID 119386846) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
PubChem CID119386846
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
SMILESCOCCCOc1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-10-3-11-21-15-5-2-4-13(12-15)16(19)18-14-6-8-17-9-7-14/h2,4-5,12,14,17H,3,6-11H2,1H3,(H,18,19)
InChIKeySJFCDOKCOAOIRY-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-cyclohexyl-3-propoxybenzamide
CID 4960053
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide (CID 119386846) is 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide is COCCCOc1cccc(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide?
The InChIKey is SJFCDOKCOAOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-10-3-11-21-15-5-2-4-13(12-15)16(19)18-14-6-8-17-9-7-14/h2,4-5,12,14,17H,3,6-11H2,1H3,(H,18,19).
What are the key properties of 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide?
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119386846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).