2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide

C18H25ClN2OS — CID 100681734

IUPAC2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C18H25ClN2OS/c19-17-4-2-1-3-15(17)11-18(22)20-12-14-5-8-21(9-6-14)16-7-10-23-13-16/h1-4,14,16H,5-13H2,(H,20,22)/t16-/m1/s1
InChIKeyYZCRCAISTSNYQY-MRXNPFEDSA-N
MW352.93 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide

2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 100681734) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
PubChem CID100681734
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC Name2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C18H25ClN2OS/c19-17-4-2-1-3-15(17)11-18(22)20-12-14-5-8-21(9-6-14)16-7-10-23-13-16/h1-4,14,16H,5-13H2,(H,20,22)/t16-/m1/s1
InChIKeyYZCRCAISTSNYQY-MRXNPFEDSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681688
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
N'-(1-phenylethyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624154
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
N'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 115626238
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 91813122
5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 91814232
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide (CID 100681734) is 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide is O=C(Cc1ccccc1Cl)NCC1CCN([C@@H]2CCSC2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is YZCRCAISTSNYQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25ClN2OS/c19-17-4-2-1-3-15(17)11-18(22)20-12-14-5-8-21(9-6-14)16-7-10-23-13-16/h1-4,14,16H,5-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 352.93 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 100681734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).