1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine

C21H28ClN3S — CID 29029571

IUPAC1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
SMILESCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1
InChIInChI=1S/C21H28ClN3S/c1-17-7-8-21(26-17)16-23-9-3-6-20(15-23)25-12-10-24(11-13-25)19-5-2-4-18(22)14-19/h2,4-5,7-8,14,20H,3,6,9-13,15-16H2,1H3/t20-/m1/s1
InChIKeyYGPPJRLPACOFLO-HXUWFJFHSA-N
MW390.00 g/mol
LogP4.50
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine

1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 29029571) has the molecular formula C21H28ClN3S and a molecular weight of 390.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
PubChem CID29029571
Molecular FormulaC21H28ClN3S
Molecular Weight390.00 g/mol
Exact Mass389.17
IUPAC Name1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
SMILESCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1
InChIInChI=1S/C21H28ClN3S/c1-17-7-8-21(26-17)16-23-9-3-6-20(15-23)25-12-10-24(11-13-25)19-5-2-4-18(22)14-19/h2,4-5,7-8,14,20H,3,6,9-13,15-16H2,1H3/t20-/m1/s1
InChIKeyYGPPJRLPACOFLO-HXUWFJFHSA-N
XLogP4.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.00
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine 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

2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 45207862
1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
CID 30722364
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 95719083
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 45228263
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609
4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 30723281

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine (CID 29029571) is 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine is Cc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is YGPPJRLPACOFLO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28ClN3S/c1-17-7-8-21(26-17)16-23-9-3-6-20(15-23)25-12-10-24(11-13-25)19-5-2-4-18(22)14-19/h2,4-5,7-8,14,20H,3,6,9-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine?
1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 390.00 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 29029571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).