3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide

C24H32N2O3 — CID 70954342

IUPAC3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCCCOc1cc(C(=O)N[C@@H]2CCCNC2)ccc1CCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-28-15-6-16-29-23-17-21(24(27)26-22-9-5-14-25-18-22)13-12-20(23)11-10-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,22,25H,5-6,9-11,14-16,18H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyZXZYSWVTMFUURP-JOCHJYFZSA-N
MW396.53 g/mol
LogP3.37
Rot. Bonds10

About 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide

3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 70954342) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID70954342
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOCCCOc1cc(C(=O)N[C@@H]2CCCNC2)ccc1CCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-28-15-6-16-29-23-17-21(24(27)26-22-9-5-14-25-18-22)13-12-20(23)11-10-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,22,25H,5-6,9-11,14-16,18H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyZXZYSWVTMFUURP-JOCHJYFZSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 70954342) is 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide is COCCCOc1cc(C(=O)N[C@@H]2CCCNC2)ccc1CCc1ccccc1.
What is the InChIKey of 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is ZXZYSWVTMFUURP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-28-15-6-16-29-23-17-21(24(27)26-22-9-5-14-25-18-22)13-12-20(23)11-10-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,22,25H,5-6,9-11,14-16,18H2,1H3,(H,26,27)/t22-/m1/s1.
What are the key properties of 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide?
3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 70954342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).