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

C15H25N3OS — CID 134001749

IUPACN-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-13(4-2)16-15(19)18-9-7-17(8-10-18)12-14-6-5-11-20-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,16,19)
InChIKeyIFYYGOUSGHEXCA-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.76
Rot. Bonds5

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

N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 134001749) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID134001749
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-13(4-2)16-15(19)18-9-7-17(8-10-18)12-14-6-5-11-20-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,16,19)
InChIKeyIFYYGOUSGHEXCA-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834130
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 134001749) is N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is CCC(CC)NC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is IFYYGOUSGHEXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-13(4-2)16-15(19)18-9-7-17(8-10-18)12-14-6-5-11-20-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,16,19).
What are the key properties of N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 134001749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).