N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide

C23H28N2O — CID 137332271

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23(20-11-12-20)25(21-9-5-2-6-10-21)22-14-17-24(18-15-22)16-13-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyOIQSKDSKROTEMN-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.14
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 137332271) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID137332271
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23(20-11-12-20)25(21-9-5-2-6-10-21)22-14-17-24(18-15-22)16-13-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyOIQSKDSKROTEMN-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide (CID 137332271) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(C1CC1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is OIQSKDSKROTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23(20-11-12-20)25(21-9-5-2-6-10-21)22-14-17-24(18-15-22)16-13-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 348.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 137332271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).