(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide

C18H27N3O2 — CID 94118926

IUPAC(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-20-9-11-21(12-10-20)14-15-5-7-16(8-6-15)19-18(22)17-4-3-13-23-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyOZECPDZCUVOQFL-QGZVFWFLSA-N
MW317.43 g/mol
LogP1.94
Rot. Bonds5

About (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 94118926) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
PubChem CID94118926
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-20-9-11-21(12-10-20)14-15-5-7-16(8-6-15)19-18(22)17-4-3-13-23-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyOZECPDZCUVOQFL-QGZVFWFLSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
CID 110353088
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
CID 71856922

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide (CID 94118926) is (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide is CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1.
What is the InChIKey of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OZECPDZCUVOQFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-20-9-11-21(12-10-20)14-15-5-7-16(8-6-15)19-18(22)17-4-3-13-23-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 94118926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).