1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one

C21H29N3OS — CID 126775887

IUPAC1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(Cc2cccn2Cc2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c25-21-7-1-2-10-24(21)15-18-8-12-22(13-9-18)16-19-5-3-11-23(19)17-20-6-4-14-26-20/h3-6,11,14,18H,1-2,7-10,12-13,15-17H2
InChIKeyOQRGRPMJNDIUSC-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.82
Rot. Bonds6

About 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 126775887) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID126775887
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1CC1CCN(Cc2cccn2Cc2cccs2)CC1
InChIInChI=1S/C21H29N3OS/c25-21-7-1-2-10-24(21)15-18-8-12-22(13-9-18)16-19-5-3-11-23(19)17-20-6-4-14-26-20/h3-6,11,14,18H,1-2,7-10,12-13,15-17H2
InChIKeyOQRGRPMJNDIUSC-UHFFFAOYSA-N
XLogP3.82
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one 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

1-[[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70737453
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
CID 99818850
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
1-[3-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]propyl]piperidin-4-ol
CID 111436549
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-methyl-3-[(3S)-1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 129325316
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
1-[[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496584
2-(thiophen-2-ylmethyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79932143
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one (CID 126775887) is 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one is O=C1CCCCN1CC1CCN(Cc2cccn2Cc2cccs2)CC1.
What is the InChIKey of 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is OQRGRPMJNDIUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c25-21-7-1-2-10-24(21)15-18-8-12-22(13-9-18)16-19-5-3-11-23(19)17-20-6-4-14-26-20/h3-6,11,14,18H,1-2,7-10,12-13,15-17H2.
What are the key properties of 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 371.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126775887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).