4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide

C18H25ClN2OS — CID 146078077

IUPAC4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2OS/c19-16-3-1-15(2-4-16)18(22)20-13-14-5-9-21(10-6-14)17-7-11-23-12-8-17/h1-4,14,17H,5-13H2,(H,20,22)
InChIKeyDUQKEZDQGCTRDY-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide

4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 146078077) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
PubChem CID146078077
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC Name4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2OS/c19-16-3-1-15(2-4-16)18(22)20-13-14-5-9-21(10-6-14)17-7-11-23-12-8-17/h1-4,14,17H,5-13H2,(H,20,22)
InChIKeyDUQKEZDQGCTRDY-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 91814232
N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 100682756
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
4-(aminomethyl)-N-(thian-4-ylmethyl)benzamide
CID 113264057
1-(2-methoxyethyl)-3-[[1-(thian-4-yl)piperidin-4-yl]methyl]urea
CID 91814305
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide (CID 146078077) is 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is DUQKEZDQGCTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2OS/c19-16-3-1-15(2-4-16)18(22)20-13-14-5-9-21(10-6-14)17-7-11-23-12-8-17/h1-4,14,17H,5-13H2,(H,20,22).
What are the key properties of 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 352.93 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 146078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).