N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide

C22H34N2O2S — CID 45190637

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C22H34N2O2S/c25-22(14-19-9-13-27-17-19)24(16-21-6-3-12-26-21)15-18-7-10-23(11-8-18)20-4-1-2-5-20/h9,13,17-18,20-21H,1-8,10-12,14-16H2
InChIKeyBIEBWYRDZZYWIA-UHFFFAOYSA-N
MW390.59 g/mol
LogP3.95
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 45190637) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID45190637
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C22H34N2O2S/c25-22(14-19-9-13-27-17-19)24(16-21-6-3-12-26-21)15-18-7-10-23(11-8-18)20-4-1-2-5-20/h9,13,17-18,20-21H,1-8,10-12,14-16H2
InChIKeyBIEBWYRDZZYWIA-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tetrahydro-2-furanylmethyl)-1'-(3-thienylacetyl)-1,4'-bipiperidine-4-carboxamide
CID 16191688
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
1-[(5aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-3-ylethanone
CID 97403379
1-[(4S,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-2-thiophen-3-ylethanone
CID 97421653
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508940
1-[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 97508954
1-[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-3-ylethanone
CID 127021136
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53150814
3-Thiopheneacetamide, N-[2-[4-(2-methoxyethyl)-1-piperidinyl]-2-oxoethyl]-N-methyl-
CID 53151075
1-[2-(2-Morpholinoethyl)piperidino]-2-(3-thienyl)-1-ethanone
CID 53193434
1-(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 121197565

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide (CID 45190637) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(CC1CCN(C2CCCC2)CC1)CC1CCCO1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is BIEBWYRDZZYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c25-22(14-19-9-13-27-17-19)24(16-21-6-3-12-26-21)15-18-7-10-23(11-8-18)20-4-1-2-5-20/h9,13,17-18,20-21H,1-8,10-12,14-16H2.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 390.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 45190637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).