N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide

C18H27N3O2 — CID 77093204

IUPACN-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(CC2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-17(22)13-20-8-10-21(11-9-20)14-18(7-12-23-15-18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,19,22)
InChIKeyPOHYGADASLWJBJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.71
Rot. Bonds5

About N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 77093204) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID77093204
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(CC2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-17(22)13-20-8-10-21(11-9-20)14-18(7-12-23-15-18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,19,22)
InChIKeyPOHYGADASLWJBJ-UHFFFAOYSA-N
XLogP0.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46988116
1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
CID 99930454
1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77089532
2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55853449
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55831338
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
CID 99945990
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide (CID 77093204) is N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(CC2(c3ccccc3)CCOC2)CC1.
What is the InChIKey of N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is POHYGADASLWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-17(22)13-20-8-10-21(11-9-20)14-18(7-12-23-15-18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,19,22).
What are the key properties of N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 77093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).