[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone

C16H21ClN2OS — CID 119329037

IUPAC[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2
InChIKeyYPLTVWVNIIXONM-UHFFFAOYSA-N
MW324.88 g/mol
LogP2.96
Rot. Bonds2

About [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone

[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone (PubChem CID 119329037) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
PubChem CID119329037
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2
InChIKeyYPLTVWVNIIXONM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Uamc00039
CID 11232124
Jzad-IV-22
CID 145986349
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone
CID 44398190
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide
CID 44398305
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
1-[(4-chlorophenyl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 3889245
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-methyl-piperidin-1-yl)-butan-1-one
CID 11381726
2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-benzyl-acetamide
CID 11502272

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone (CID 119329037) is [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The InChIKey is YPLTVWVNIIXONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2.
What are the key properties of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone has a molecular weight of 324.88 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119329037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).