4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide

C23H37N3O3 — CID 91906243

IUPAC4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O3/c1-2-28-18-6-13-24-23(27)26-16-11-22(12-17-26)29-21-9-14-25(15-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27)
InChIKeyBJMANFHJKOLFGG-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.27
Rot. Bonds9

About 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide

4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide (PubChem CID 91906243) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide
PubChem CID91906243
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O3/c1-2-28-18-6-13-24-23(27)26-16-11-22(12-17-26)29-21-9-14-25(15-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27)
InChIKeyBJMANFHJKOLFGG-UHFFFAOYSA-N
XLogP3.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide (CID 91906243) is 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide is CCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide?
The InChIKey is BJMANFHJKOLFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-2-28-18-6-13-24-23(27)26-16-11-22(12-17-26)29-21-9-14-25(15-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27).
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide?
4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-ethoxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 91906243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).