N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C23H30N2O — CID 3041260

IUPACN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1
InChIKeyMLQRZXNZHAOCHQ-KNQAVFIVSA-N
MW350.51 g/mol
LogP4.38
Rot. Bonds6

About N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 3041260) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID3041260
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1
InChIKeyMLQRZXNZHAOCHQ-KNQAVFIVSA-N
XLogP4.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 3041260) is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is MLQRZXNZHAOCHQ-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1.
What are the key properties of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 350.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 3041260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).