(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide

C16H23N3O2 — CID 141209517

IUPAC(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
SMILESCN1CCN(c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-7-9-19(10-8-18)14-5-2-4-13(12-14)17-16(20)15-6-3-11-21-15/h2,4-5,12,15H,3,6-11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyQARUREJGKRHKEX-HNNXBMFYSA-N
MW289.38 g/mol
LogP1.56
Rot. Bonds3

About (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide

(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide (PubChem CID 141209517) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
PubChem CID141209517
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
SMILESCN1CCN(c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-7-9-19(10-8-18)14-5-2-4-13(12-14)17-16(20)15-6-3-11-21-15/h2,4-5,12,15H,3,6-11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyQARUREJGKRHKEX-HNNXBMFYSA-N
XLogP1.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide
CID 100713681
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 52511520
N-[3-[[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 110960881
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide (CID 141209517) is (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide is CN1CCN(c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1.
What is the InChIKey of (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is QARUREJGKRHKEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-7-9-19(10-8-18)14-5-2-4-13(12-14)17-16(20)15-6-3-11-21-15/h2,4-5,12,15H,3,6-11H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 141209517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).