4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide

C17H27N3O2S — CID 124608917

IUPAC4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1cccs1
InChIInChI=1S/C17H27N3O2S/c1-2-15(16-4-3-13-23-16)18-17(21)20-9-7-19(8-10-20)14-5-11-22-12-6-14/h3-4,13-15H,2,5-12H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyPUHGHAPZXXFOTQ-OAHLLOKOSA-N
MW337.49 g/mol
LogP2.71
Rot. Bonds4

About 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide

4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide (PubChem CID 124608917) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
PubChem CID124608917
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1cccs1
InChIInChI=1S/C17H27N3O2S/c1-2-15(16-4-3-13-23-16)18-17(21)20-9-7-19(8-10-20)14-5-11-22-12-6-14/h3-4,13-15H,2,5-12H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyPUHGHAPZXXFOTQ-OAHLLOKOSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285319
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
4-[(3,4-difluorophenyl)methyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 126427672
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide (CID 124608917) is 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide is CC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1cccs1.
What is the InChIKey of 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
The InChIKey is PUHGHAPZXXFOTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-15(16-4-3-13-23-16)18-17(21)20-9-7-19(8-10-20)14-5-11-22-12-6-14/h3-4,13-15H,2,5-12H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide?
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 124608917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).