N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide

C27H30N2O — CID 10250291

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
InChIKeyRSMDWTVKHVTHAL-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.64
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide (PubChem CID 10250291) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide
PubChem CID10250291
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
InChIKeyRSMDWTVKHVTHAL-UHFFFAOYSA-N
XLogP5.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide (CID 10250291) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide is O=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide?
The InChIKey is RSMDWTVKHVTHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide has a molecular weight of 398.55 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide is sourced from PubChem (CID 10250291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).