[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C23H29ClN2O2S — CID 42514773

IUPAC[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C23H29ClN2O2S/c1-17-5-7-20(29-17)16-25-13-9-19(10-14-25)28-22-15-18(24)6-8-21(22)23(27)26-11-3-2-4-12-26/h5-8,15,19H,2-4,9-14,16H2,1H3
InChIKeyVIPRBFLHLYDSNR-UHFFFAOYSA-N
MW433.02 g/mol
LogP5.38
Rot. Bonds5

About [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 42514773) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID42514773
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC Name[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C23H29ClN2O2S/c1-17-5-7-20(29-17)16-25-13-9-19(10-14-25)28-22-15-18(24)6-8-21(22)23(27)26-11-3-2-4-12-26/h5-8,15,19H,2-4,9-14,16H2,1H3
InChIKeyVIPRBFLHLYDSNR-UHFFFAOYSA-N
XLogP5.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.02
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone 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

[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25378744
[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42376596
[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 45231117
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 25461351
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
[4-methoxy-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72929364

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 42514773) is [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is Cc1ccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)s1.
What is the InChIKey of [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is VIPRBFLHLYDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-17-5-7-20(29-17)16-25-13-9-19(10-14-25)28-22-15-18(24)6-8-21(22)23(27)26-11-3-2-4-12-26/h5-8,15,19H,2-4,9-14,16H2,1H3.
What are the key properties of [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 433.02 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42514773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).