N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide

C16H22IN3O2 — CID 97011458

IUPACN-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1cccc(I)c1
InChIInChI=1S/C16H22IN3O2/c17-13-2-1-3-14(10-13)18-16(21)11-19-5-7-20(8-6-19)15-4-9-22-12-15/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m1/s1
InChIKeyWRYSBYAJLJBGLJ-OAHLLOKOSA-N
MW415.28 g/mol
LogP1.64
Rot. Bonds4

About N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide

N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide (PubChem CID 97011458) has the molecular formula C16H22IN3O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
PubChem CID97011458
Molecular FormulaC16H22IN3O2
Molecular Weight415.28 g/mol
Exact Mass415.08
IUPAC NameN-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1cccc(I)c1
InChIInChI=1S/C16H22IN3O2/c17-13-2-1-3-14(10-13)18-16(21)11-19-5-7-20(8-6-19)15-4-9-22-12-15/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m1/s1
InChIKeyWRYSBYAJLJBGLJ-OAHLLOKOSA-N
XLogP1.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913541
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818414
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66434673
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30148674
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913543
N-(3-aminophenyl)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide
CID 79917172

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide (CID 97011458) is N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide is O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide?
The InChIKey is WRYSBYAJLJBGLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22IN3O2/c17-13-2-1-3-14(10-13)18-16(21)11-19-5-7-20(8-6-19)15-4-9-22-12-15/h1-3,10,15H,4-9,11-12H2,(H,18,21)/t15-/m1/s1.
What are the key properties of N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide?
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide has a molecular weight of 415.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 97011458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).