piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone

C15H27N3OS — CID 120836168

IUPACpiperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC2CCSC2)C1)N1CCNCC1
InChIInChI=1S/C15H27N3OS/c19-15(18-7-4-16-5-8-18)14-2-1-6-17(11-14)10-13-3-9-20-12-13/h13-14,16H,1-12H2
InChIKeyRNKSBVDBPCEHAQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP0.88
Rot. Bonds3

About piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone

piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 120836168) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID120836168
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Namepiperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC2CCSC2)C1)N1CCNCC1
InChIInChI=1S/C15H27N3OS/c19-15(18-7-4-16-5-8-18)14-2-1-6-17(11-14)10-13-3-9-20-12-13/h13-14,16H,1-12H2
InChIKeyRNKSBVDBPCEHAQ-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
CID 120844655
[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone
CID 82509980
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
2-[3-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 82511336
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
3-(thiolan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 107133226
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
CID 107133710
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 163352501
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone (CID 120836168) is piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(CC2CCSC2)C1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is RNKSBVDBPCEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c19-15(18-7-4-16-5-8-18)14-2-1-6-17(11-14)10-13-3-9-20-12-13/h13-14,16H,1-12H2.
What are the key properties of piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone?
piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 297.47 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 120836168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).