N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide

C22H33N3O3 — CID 124840627

IUPACN-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN([C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-22(2)19(18-8-15-28-20(18)22)25-13-11-24(12-14-25)10-9-23-21(26)16-4-6-17(27-3)7-5-16/h4-7,18-20H,8-15H2,1-3H3,(H,23,26)/t18-,19-,20-/m1/s1
InChIKeyIHVYHUJNCVBIOA-VAMGGRTRSA-N
MW387.52 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide

N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 124840627) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide
PubChem CID124840627
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN([C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1
InChIInChI=1S/C22H33N3O3/c1-22(2)19(18-8-15-28-20(18)22)25-13-11-24(12-14-25)10-9-23-21(26)16-4-6-17(27-3)7-5-16/h4-7,18-20H,8-15H2,1-3H3,(H,23,26)/t18-,19-,20-/m1/s1
InChIKeyIHVYHUJNCVBIOA-VAMGGRTRSA-N
XLogP1.86
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide with MolForge

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Related Compounds

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4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
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N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
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N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
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CID 122081559
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
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CID 23875507
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CID 139726509
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
CID 10597541
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide (CID 124840627) is N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCN([C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is IHVYHUJNCVBIOA-VAMGGRTRSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-22(2)19(18-8-15-28-20(18)22)25-13-11-24(12-14-25)10-9-23-21(26)16-4-6-17(27-3)7-5-16/h4-7,18-20H,8-15H2,1-3H3,(H,23,26)/t18-,19-,20-/m1/s1.
What are the key properties of N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide has a molecular weight of 387.52 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperazin-1-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 124840627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).