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

C23H31ClN2O — CID 119057604

IUPACN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.Cl
InChIInChI=1S/C23H30N2O.ClH/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;1H/t19-,22+;/m1./s1
InChIKeyGQIWDGKLQJBQJU-GVWAYPJCSA-N
MW386.97 g/mol
LogP4.80
Rot. Bonds6

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

N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 119057604) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
PubChem CID119057604
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.Cl
InChIInChI=1S/C23H30N2O.ClH/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;1H/t19-,22+;/m1./s1
InChIKeyGQIWDGKLQJBQJU-GVWAYPJCSA-N
XLogP4.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 54.80
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;hydrochloride?
The IUPAC name of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride (CID 119057604) is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride is CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.Cl.
What is the InChIKey of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is GQIWDGKLQJBQJU-GVWAYPJCSA-N. The full InChI is InChI=1S/C23H30N2O.ClH/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;1H/t19-,22+;/m1./s1.
What are the key properties of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 4.80, 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;hydrochloride is sourced from PubChem (CID 119057604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).