2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C16H25N3OS — CID 62675440

IUPAC2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCNC1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3OS/c20-16(11-14-3-1-5-17-12-14)19-8-6-18(7-9-19)13-15-4-2-10-21-15/h2,4,10,14,17H,1,3,5-9,11-13H2
InChIKeyLAXSCAHNRJAFGD-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.78
Rot. Bonds4

About 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 62675440) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID62675440
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCNC1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3OS/c20-16(11-14-3-1-5-17-12-14)19-8-6-18(7-9-19)13-15-4-2-10-21-15/h2,4,10,14,17H,1,3,5-9,11-13H2
InChIKeyLAXSCAHNRJAFGD-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 99938250
pyrrolidin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 63006136
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
[(2R)-pyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 104900969
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
3-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 64683895
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 31328827

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 62675440) is 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CC1CCCNC1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is LAXSCAHNRJAFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-16(11-14-3-1-5-17-12-14)19-8-6-18(7-9-19)13-15-4-2-10-21-15/h2,4,10,14,17H,1,3,5-9,11-13H2.
What are the key properties of 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 307.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62675440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).