N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

C19H27ClN2OS — CID 56707250

IUPACN-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSCC2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H27ClN2OS/c20-17-3-1-2-4-18(17)21-19(23)6-5-15-7-11-22(12-8-15)16-9-13-24-14-10-16/h1-4,15-16H,5-14H2,(H,21,23)
InChIKeyVDMWADZGHODMQV-UHFFFAOYSA-N
MW366.96 g/mol
LogP4.67
Rot. Bonds5

About N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (PubChem CID 56707250) has the molecular formula C19H27ClN2OS and a molecular weight of 366.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
PubChem CID56707250
Molecular FormulaC19H27ClN2OS
Molecular Weight366.96 g/mol
Exact Mass366.15
IUPAC NameN-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSCC2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H27ClN2OS/c20-17-3-1-2-4-18(17)21-19(23)6-5-15-7-11-22(12-8-15)16-9-13-24-14-10-16/h1-4,15-16H,5-14H2,(H,21,23)
InChIKeyVDMWADZGHODMQV-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.96
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide 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

N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
CID 42565370
N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
CID 56856067
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
CID 42209722
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
CID 45234534
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26410836
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (CID 56707250) is N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C2CCSCC2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The InChIKey is VDMWADZGHODMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2OS/c20-17-3-1-2-4-18(17)21-19(23)6-5-15-7-11-22(12-8-15)16-9-13-24-14-10-16/h1-4,15-16H,5-14H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide has a molecular weight of 366.96 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 56707250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).