1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone

C19H29N3O2 — CID 119050603

IUPAC1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(NC(C)C3CCOC3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(18-7-12-24-14-18)20-19-5-3-17(4-6-19)13-21-8-10-22(11-9-21)16(2)23/h3-6,15,18,20H,7-14H2,1-2H3
InChIKeyNLSWVBSABOHJRI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.19
Rot. Bonds5

About 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone

1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 119050603) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID119050603
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(NC(C)C3CCOC3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(18-7-12-24-14-18)20-19-5-3-17(4-6-19)13-21-8-10-22(11-9-21)16(2)23/h3-6,15,18,20H,7-14H2,1-2H3
InChIKeyNLSWVBSABOHJRI-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177
4-butyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916962
4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917242
1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate
CID 119033025
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
CID 86782658
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
CID 119047961
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
CID 75462890

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone (CID 119050603) is 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(NC(C)C3CCOC3)cc2)CC1.
What is the InChIKey of 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is NLSWVBSABOHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(18-7-12-24-14-18)20-19-5-3-17(4-6-19)13-21-8-10-22(11-9-21)16(2)23/h3-6,15,18,20H,7-14H2,1-2H3.
What are the key properties of 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).