[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C20H22N4OS — CID 166274928

IUPAC[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(NCc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(19-5-2-12-26-19)24-10-7-17(8-11-24)21-14-15-3-1-4-16(13-15)18-6-9-22-23-18/h1-6,9,12-13,17,21H,7-8,10-11,14H2,(H,22,23)
InChIKeyIOAMNLYJDLUECZ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds5

About [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 166274928) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID166274928
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(NCc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(19-5-2-12-26-19)24-10-7-17(8-11-24)21-14-15-3-1-4-16(13-15)18-6-9-22-23-18/h1-6,9,12-13,17,21H,7-8,10-11,14H2,(H,22,23)
InChIKeyIOAMNLYJDLUECZ-UHFFFAOYSA-N
XLogP3.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone 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

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 56715058
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 131910869
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 131892120
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 166274928) is [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(NCc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IOAMNLYJDLUECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(19-5-2-12-26-19)24-10-7-17(8-11-24)21-14-15-3-1-4-16(13-15)18-6-9-22-23-18/h1-6,9,12-13,17,21H,7-8,10-11,14H2,(H,22,23).
What are the key properties of [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 366.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 166274928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).