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

C23H37N3O2 — CID 91916457

IUPAC4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(2)8-13-24-23(27)26-16-11-22(12-17-26)28-21-9-14-25(15-10-21)18-20-6-4-3-5-7-20/h3-7,19,21-22H,8-18H2,1-2H3,(H,24,27)
InChIKeyBMTRZFRJCRDFMT-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.89
Rot. Bonds7

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

4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 91916457) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID91916457
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-19(2)8-13-24-23(27)26-16-11-22(12-17-26)28-21-9-14-25(15-10-21)18-20-6-4-3-5-7-20/h3-7,19,21-22H,8-18H2,1-2H3,(H,24,27)
InChIKeyBMTRZFRJCRDFMT-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide (CID 91916457) is 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is BMTRZFRJCRDFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-19(2)8-13-24-23(27)26-16-11-22(12-17-26)28-21-9-14-25(15-10-21)18-20-6-4-3-5-7-20/h3-7,19,21-22H,8-18H2,1-2H3,(H,24,27).
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide?
4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 91916457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).