(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide

C18H27N3O2 — CID 94083611

IUPAC(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(CCNC(=O)[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-15-4-2-5-16(14-15)21-11-9-20(10-12-21)8-7-19-18(22)17-6-3-13-23-17/h2,4-5,14,17H,3,6-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyMGTSPOSKWBAXIE-QGZVFWFLSA-N
MW317.43 g/mol
LogP1.41
Rot. Bonds5

About (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide

(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 94083611) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID94083611
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(CCNC(=O)[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-15-4-2-5-16(14-15)21-11-9-20(10-12-21)8-7-19-18(22)17-6-3-13-23-17/h2,4-5,14,17H,3,6-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyMGTSPOSKWBAXIE-QGZVFWFLSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55657688
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
4-(4-bromophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxobutanamide
CID 46462338
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide (CID 94083611) is (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide is Cc1cccc(N2CCN(CCNC(=O)[C@H]3CCCO3)CC2)c1.
What is the InChIKey of (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is MGTSPOSKWBAXIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-4-2-5-16(14-15)21-11-9-20(10-12-21)8-7-19-18(22)17-6-3-13-23-17/h2,4-5,14,17H,3,6-13H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 94083611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).