2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide

C24H32N2O2 — CID 22966008

IUPAC2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@]1(C)c1cccc(OC(C)(C)C(N)=O)c1
InChIInChI=1S/C24H32N2O2/c1-18-16-26(17-19-9-6-5-7-10-19)14-13-24(18,4)20-11-8-12-21(15-20)28-23(2,3)22(25)27/h5-12,15,18H,13-14,16-17H2,1-4H3,(H2,25,27)/t18-,24-/m0/s1
InChIKeyKESIWDZLRPPDPR-UUOWRZLLSA-N
MW380.53 g/mol
LogP4.13
Rot. Bonds6

About 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide

2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide (PubChem CID 22966008) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide
PubChem CID22966008
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@]1(C)c1cccc(OC(C)(C)C(N)=O)c1
InChIInChI=1S/C24H32N2O2/c1-18-16-26(17-19-9-6-5-7-10-19)14-13-24(18,4)20-11-8-12-21(15-20)28-23(2,3)22(25)27/h5-12,15,18H,13-14,16-17H2,1-4H3,(H2,25,27)/t18-,24-/m0/s1
InChIKeyKESIWDZLRPPDPR-UUOWRZLLSA-N
XLogP4.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide with MolForge

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Related Compounds

methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405
3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]-3,4-dimethylpiperidin-4-yl]benzoic acid
CID 66951291
[3-[(3R,4R)-1-[(2S)-2-benzyl-3-oxobutyl]-3,4-dimethylpiperidin-4-yl]phenyl] trifluoromethanesulfonate
CID 59730481
tert-butyl 2-benzyl-3-[4-(3-ethylphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 90901836
3-[(3R,4R)-1-[(2S)-2-carboxy-3-phenylpropyl]-3,4-dimethylpiperidin-4-yl]benzoic acid
CID 59730473
(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 18393824
methyl 2-benzyl-3-[4-[3-(1-hydroxyethenyl)phenyl]-3,4-dimethylpiperidin-1-yl]propanoate
CID 91567241
(2R,3S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-2,3-dimethyl-4-phenylbutanoic acid
CID 163615683
methyl 2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 68777820
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[[4-(3-aminophenyl)-3,4-dimethylpiperidin-1-yl]methyl]-4-phenylbutan-2-one
CID 76754485
ethyl 2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CID 10408394

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide?
The IUPAC name of 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide (CID 22966008) is 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide is C[C@H]1CN(Cc2ccccc2)CC[C@]1(C)c1cccc(OC(C)(C)C(N)=O)c1.
What is the InChIKey of 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide?
The InChIKey is KESIWDZLRPPDPR-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-16-26(17-19-9-6-5-7-10-19)14-13-24(18,4)20-11-8-12-21(15-20)28-23(2,3)22(25)27/h5-12,15,18H,13-14,16-17H2,1-4H3,(H2,25,27)/t18-,24-/m0/s1.
What are the key properties of 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide?
2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide has a molecular weight of 380.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 22966008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).