(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

C18H27N3O2 — CID 39303318

IUPAC(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1
InChIInChI=1S/C18H27N3O2/c22-18(17-7-4-14-23-17)19-8-9-20-10-12-21(13-11-20)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m1/s1
InChIKeyCVUVGRNGRRHUTH-QGZVFWFLSA-N
MW317.43 g/mol
LogP1.10
Rot. Bonds6

About (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 39303318) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID39303318
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1
InChIInChI=1S/C18H27N3O2/c22-18(17-7-4-14-23-17)19-8-9-20-10-12-21(13-11-20)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m1/s1
InChIKeyCVUVGRNGRRHUTH-QGZVFWFLSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 26353443
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (CID 39303318) is (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is CVUVGRNGRRHUTH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(17-7-4-14-23-17)19-8-9-20-10-12-21(13-11-20)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 39303318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).