N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide

C23H28N2O — CID 4170750

IUPACN-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
SMILESCN1CCC(N(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C23H28N2O/c1-24-16-14-21(15-17-24)25(20-12-13-20)23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3
InChIKeyMQGOBUXXEXFYMQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.90
Rot. Bonds5

About N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide

N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide (PubChem CID 4170750) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
PubChem CID4170750
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
SMILESCN1CCC(N(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C23H28N2O/c1-24-16-14-21(15-17-24)25(20-12-13-20)23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3
InChIKeyMQGOBUXXEXFYMQ-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide?
The IUPAC name of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide (CID 4170750) is N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide is CN1CCC(N(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide?
The InChIKey is MQGOBUXXEXFYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-16-14-21(15-17-24)25(20-12-13-20)23(26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide?
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide has a molecular weight of 348.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 4170750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).