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

C23H30N2O2 — CID 86744623

IUPACN-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(C(C)c2ccccc2)C[C@H]1OC
InChIInChI=1S/C23H30N2O2/c1-4-23(26)25(20-13-9-6-10-14-20)21-15-16-24(17-22(21)27-3)18(2)19-11-7-5-8-12-19/h5-14,18,21-22H,4,15-17H2,1-3H3/t18?,21-,22+/m0/s1
InChIKeyFEYUKHZYQAZHRJ-LFZQMPOYSA-N
MW366.50 g/mol
LogP4.28
Rot. Bonds6

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

N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 86744623) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID86744623
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1CCN(C(C)c2ccccc2)C[C@H]1OC
InChIInChI=1S/C23H30N2O2/c1-4-23(26)25(20-13-9-6-10-14-20)21-15-16-24(17-22(21)27-3)18(2)19-11-7-5-8-12-19/h5-14,18,21-22H,4,15-17H2,1-3H3/t18?,21-,22+/m0/s1
InChIKeyFEYUKHZYQAZHRJ-LFZQMPOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 23623859
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
[(1R)-2-[(3S,4S)-3-methyl-4-(N-propanoylanilino)piperidin-1-yl]-1-phenylethyl] propanoate
CID 10002370
ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
CID 11778924
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
6-[4-[[1-(1-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]hexanoic acid
CID 172858722
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 86744623) is N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)[C@H]1CCN(C(C)c2ccccc2)C[C@H]1OC.
What is the InChIKey of N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is FEYUKHZYQAZHRJ-LFZQMPOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-23(26)25(20-13-9-6-10-14-20)21-15-16-24(17-22(21)27-3)18(2)19-11-7-5-8-12-19/h5-14,18,21-22H,4,15-17H2,1-3H3/t18?,21-,22+/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 366.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 86744623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).