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

C23H30ClN3O3 — CID 10119887

IUPACN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O3/c1-17(28)26-22-4-2-3-5-23(22)30-16-21(29)14-25-20-10-12-27(13-11-20)15-18-6-8-19(24)9-7-18/h2-9,20-21,25,29H,10-16H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeyXZZZCTNRNINFIV-NRFANRHFSA-N
MW431.96 g/mol
LogP3.29
Rot. Bonds9

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

N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 10119887) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID10119887
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O3/c1-17(28)26-22-4-2-3-5-23(22)30-16-21(29)14-25-20-10-12-27(13-11-20)15-18-6-8-19(24)9-7-18/h2-9,20-21,25,29H,10-16H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeyXZZZCTNRNINFIV-NRFANRHFSA-N
XLogP3.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.29
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-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide (CID 10119887) is N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is XZZZCTNRNINFIV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-17(28)26-22-4-2-3-5-23(22)30-16-21(29)14-25-20-10-12-27(13-11-20)15-18-6-8-19(24)9-7-18/h2-9,20-21,25,29H,10-16H2,1H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 431.96 g/mol, XLogP of 3.29, 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-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 10119887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).