[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C20H30N4O2S — CID 47030913

IUPAC[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H30N4O2S/c25-19(22-11-9-21(10-12-22)14-17-5-13-27-16-17)18-4-3-8-24(15-18)20(26)23-6-1-2-7-23/h5,13,16,18H,1-4,6-12,14-15H2
InChIKeyIMZQNMKLNORZMI-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.32
Rot. Bonds3

About [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 47030913) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID47030913
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H30N4O2S/c25-19(22-11-9-21(10-12-22)14-17-5-13-27-16-17)18-4-3-8-24(15-18)20(26)23-6-1-2-7-23/h5,13,16,18H,1-4,6-12,14-15H2
InChIKeyIMZQNMKLNORZMI-UHFFFAOYSA-N
XLogP2.32
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47030918
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 31383525
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 94382593
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
1-[(4-chlorophenyl)methyl]-4-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 23854510
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344229
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
[(4aR,8aR)-6-(thiophen-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclopropylmethanone
CID 42454210

Frequently Asked Questions

What is the IUPAC name of [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 47030913) is [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IMZQNMKLNORZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c25-19(22-11-9-21(10-12-22)14-17-5-13-27-16-17)18-4-3-8-24(15-18)20(26)23-6-1-2-7-23/h5,13,16,18H,1-4,6-12,14-15H2.
What are the key properties of [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 390.55 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).