N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide

C22H28N2O — CID 57392440

IUPACN-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18(19-8-4-2-5-9-19)23-22(25)14-17-24-15-12-21(13-16-24)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyZCFATTWFYKFQGO-SFHVURJKSA-N
MW336.48 g/mol
LogP4.13
Rot. Bonds6

About N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57392440) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57392440
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18(19-8-4-2-5-9-19)23-22(25)14-17-24-15-12-21(13-16-24)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyZCFATTWFYKFQGO-SFHVURJKSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57392440) is N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide is C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is ZCFATTWFYKFQGO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18(19-8-4-2-5-9-19)23-22(25)14-17-24-15-12-21(13-16-24)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57392440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).