piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone

C22H32N2O2S — CID 26328776

IUPACpiperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(C3CCSCC3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C22H32N2O2S/c25-22(24-12-2-1-3-13-24)18-4-6-20(7-5-18)26-21-8-14-23(15-9-21)19-10-16-27-17-11-19/h4-7,19,21H,1-3,8-17H2
InChIKeyPRAZSTVHQNXSTE-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.05
Rot. Bonds4

About piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone

piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 26328776) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID26328776
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Namepiperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(C3CCSCC3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C22H32N2O2S/c25-22(24-12-2-1-3-13-24)18-4-6-20(7-5-18)26-21-8-14-23(15-9-21)19-10-16-27-17-11-19/h4-7,19,21H,1-3,8-17H2
InChIKeyPRAZSTVHQNXSTE-UHFFFAOYSA-N
XLogP4.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone 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-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 42592489
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 44540674
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
(4-ethoxyphenyl)-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 138810956
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone (CID 26328776) is piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone is O=C(c1ccc(OC2CCN(C3CCSCC3)CC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is PRAZSTVHQNXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c25-22(24-12-2-1-3-13-24)18-4-6-20(7-5-18)26-21-8-14-23(15-9-21)19-10-16-27-17-11-19/h4-7,19,21H,1-3,8-17H2.
What are the key properties of piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone?
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 388.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 26328776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).