N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride

C21H30ClN3O3S — CID 22882826

IUPACN-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl
InChIInChI=1S/C21H29N3O3S.ClH/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16;/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3;1H/t19-,21-;/m0./s1
InChIKeyWVCMEULEFXFFEY-RQBPZYBGSA-N
MW440.01 g/mol
LogP3.10
Rot. Bonds7

About N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride

N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 22882826) has the molecular formula C21H30ClN3O3S and a molecular weight of 440.01 g/mol. Its IUPAC name is N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID22882826
Molecular FormulaC21H30ClN3O3S
Molecular Weight440.01 g/mol
Exact Mass439.17
IUPAC NameN-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl
InChIInChI=1S/C21H29N3O3S.ClH/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16;/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3;1H/t19-,21-;/m0./s1
InChIKeyWVCMEULEFXFFEY-RQBPZYBGSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.01
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
CID 19696613
N-[4-cyclopentyloxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide
CID 67780515
N-[4-methoxy-3-[[[(2R,3R)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide;dihydrochloride
CID 70195613
N-(cyclohexylmethyl)-N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methanesulfonamide
CID 19696646
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
N-methylsulfonyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 19696705
(2S,3S)-N-[(2-methoxy-5-methylsulfinylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 70197176
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
1,1,1-trifluoro-N-methyl-N-[3-[[[(2R,3R)-2-phenylpiperidin-3-yl]amino]methyl]-4-propan-2-yloxyphenyl]methanesulfonamide
CID 54231635
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride (CID 22882826) is N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride is COc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.
What is the InChIKey of N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is WVCMEULEFXFFEY-RQBPZYBGSA-N. The full InChI is InChI=1S/C21H29N3O3S.ClH/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16;/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3;1H/t19-,21-;/m0./s1.
What are the key properties of N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride?
N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 440.01 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 22882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).