N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C14H23N3O2S — CID 17185583

IUPACN-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-19-10-3-5-15-14(18)17-8-6-16(7-9-17)12-13-4-2-11-20-13/h2,4,11H,3,5-10,12H2,1H3,(H,15,18)
InChIKeyHWTYFRQDWDPDGB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.61
Rot. Bonds6

About N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17185583) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17185583
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-19-10-3-5-15-14(18)17-8-6-16(7-9-17)12-13-4-2-11-20-13/h2,4,11H,3,5-10,12H2,1H3,(H,15,18)
InChIKeyHWTYFRQDWDPDGB-UHFFFAOYSA-N
XLogP1.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
methyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]butanoate
CID 30965418
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
N-[(2,3-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 55909350
N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 35998814
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 17185583) is N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is COCCCNC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HWTYFRQDWDPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-19-10-3-5-15-14(18)17-8-6-16(7-9-17)12-13-4-2-11-20-13/h2,4,11H,3,5-10,12H2,1H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).