N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide

C24H32ClN3O3 — CID 10297363

IUPACN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32ClN3O3/c1-18(29)27-22-5-3-4-6-23(22)31-17-24(2,30)16-26-21-11-13-28(14-12-21)15-19-7-9-20(25)10-8-19/h3-10,21,26,30H,11-17H2,1-2H3,(H,27,29)/t24-/m0/s1
InChIKeyUHWWMQGKINJTML-DEOSSOPVSA-N
MW445.99 g/mol
LogP3.68
Rot. Bonds9

About N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide

N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide (PubChem CID 10297363) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide
PubChem CID10297363
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC NameN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32ClN3O3/c1-18(29)27-22-5-3-4-6-23(22)31-17-24(2,30)16-26-21-11-13-28(14-12-21)15-19-7-9-20(25)10-8-19/h3-10,21,26,30H,11-17H2,1-2H3,(H,27,29)/t24-/m0/s1
InChIKeyUHWWMQGKINJTML-DEOSSOPVSA-N
XLogP3.68
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide (CID 10297363) is N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The InChIKey is UHWWMQGKINJTML-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-18(29)27-22-5-3-4-6-23(22)31-17-24(2,30)16-26-21-11-13-28(14-12-21)15-19-7-9-20(25)10-8-19/h3-10,21,26,30H,11-17H2,1-2H3,(H,27,29)/t24-/m0/s1.
What are the key properties of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide has a molecular weight of 445.99 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]phenyl]acetamide is sourced from PubChem (CID 10297363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).