N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

C11H17N3OS — CID 115171574

IUPACN-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCNCC1
InChIInChI=1S/C11H17N3OS/c1-9-2-7-16-10(9)8-13-11(15)14-5-3-12-4-6-14/h2,7,12H,3-6,8H2,1H3,(H,13,15)
InChIKeyOSTLECZUEUMXKP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.17
Rot. Bonds2

About N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 115171574) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID115171574
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCNCC1
InChIInChI=1S/C11H17N3OS/c1-9-2-7-16-10(9)8-13-11(15)14-5-3-12-4-6-14/h2,7,12H,3-6,8H2,1H3,(H,13,15)
InChIKeyOSTLECZUEUMXKP-UHFFFAOYSA-N
XLogP1.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
1-Benzyl-3-(thiophen-2-ylmethyl)urea
CID 858197
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
1-Phenethyl-3-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)urea
CID 71787153
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide (CID 115171574) is N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide is Cc1ccsc1CNC(=O)N1CCNCC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OSTLECZUEUMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-2-7-16-10(9)8-13-11(15)14-5-3-12-4-6-14/h2,7,12H,3-6,8H2,1H3,(H,13,15).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 115171574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).