piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C15H23N3OS — CID 60937029

IUPACpiperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H23N3OS/c19-15(14-5-1-2-6-16-14)18-9-7-17(8-10-18)12-13-4-3-11-20-13/h3-4,11,14,16H,1-2,5-10,12H2
InChIKeyHPFCFYOJQRIXEP-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.53
Rot. Bonds3

About piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60937029) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60937029
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Namepiperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H23N3OS/c19-15(14-5-1-2-6-16-14)18-9-7-17(8-10-18)12-13-4-3-11-20-13/h3-4,11,14,16H,1-2,5-10,12H2
InChIKeyHPFCFYOJQRIXEP-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-pyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 104900969
(4-methylpiperidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 114423308
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839823
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
pyrrolidin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 63006136
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-piperidin-2-ylmethanone
CID 119838880
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838937
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 60937029) is piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCCCN1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HPFCFYOJQRIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-15(14-5-1-2-6-16-14)18-9-7-17(8-10-18)12-13-4-3-11-20-13/h3-4,11,14,16H,1-2,5-10,12H2.
What are the key properties of piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60937029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).