N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide

C23H29Cl2N3O3 — CID 67120191

IUPACN-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29Cl2N3O3/c1-16(29)27-22-7-6-19(25)12-23(22)31-15-21(30)13-26-20-8-10-28(11-9-20)14-17-2-4-18(24)5-3-17/h2-7,12,20-21,26,30H,8-11,13-15H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyXIQPATDTNOIQFY-OAQYLSRUSA-N
MW466.41 g/mol
LogP3.95
Rot. Bonds9

About N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide

N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 67120191) has the molecular formula C23H29Cl2N3O3 and a molecular weight of 466.41 g/mol. Its IUPAC name is N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID67120191
Molecular FormulaC23H29Cl2N3O3
Molecular Weight466.41 g/mol
Exact Mass465.16
IUPAC NameN-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29Cl2N3O3/c1-16(29)27-22-7-6-19(25)12-23(22)31-15-21(30)13-26-20-8-10-28(11-9-20)14-17-2-4-18(24)5-3-17/h2-7,12,20-21,26,30H,8-11,13-15H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyXIQPATDTNOIQFY-OAQYLSRUSA-N
XLogP3.95
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide (CID 67120191) is N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is XIQPATDTNOIQFY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29Cl2N3O3/c1-16(29)27-22-7-6-19(25)12-23(22)31-15-21(30)13-26-20-8-10-28(11-9-20)14-17-2-4-18(24)5-3-17/h2-7,12,20-21,26,30H,8-11,13-15H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 466.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 67120191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).