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

C13H21N3OS — CID 17185587

IUPACN-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-11(2)14-13(17)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17)
InChIKeySLLFLWOZSOJNHR-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.98
Rot. Bonds3

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

N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17185587) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17185587
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-11(2)14-13(17)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17)
InChIKeySLLFLWOZSOJNHR-UHFFFAOYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
2-[[N-methyl-C-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylacetamide
CID 119133196
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834130
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 94122765
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
(2S)-2-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 61164699

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 17185587) is N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is CC(C)NC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SLLFLWOZSOJNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11(2)14-13(17)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17).
What are the key properties of N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17185587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).