N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide

C23H27N3O4 — CID 51945143

IUPACN-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1
InChIInChI=1S/C23H27N3O4/c1-17-4-2-5-20(16-17)30-19-9-7-18(8-10-19)24-23(28)26-13-11-25(12-14-26)22(27)21-6-3-15-29-21/h2,4-5,7-10,16,21H,3,6,11-15H2,1H3,(H,24,28)/t21-/m0/s1
InChIKeyUCXXAPXJBVRJJI-NRFANRHFSA-N
MW409.49 g/mol
LogP3.64
Rot. Bonds4

About N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide

N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide (PubChem CID 51945143) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
PubChem CID51945143
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1
InChIInChI=1S/C23H27N3O4/c1-17-4-2-5-20(16-17)30-19-9-7-18(8-10-19)24-23(28)26-13-11-25(12-14-26)22(27)21-6-3-15-29-21/h2,4-5,7-10,16,21H,3,6,11-15H2,1H3,(H,24,28)/t21-/m0/s1
InChIKeyUCXXAPXJBVRJJI-NRFANRHFSA-N
XLogP3.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 42897369
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200
[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 31085477
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
4-(oxolane-2-carbonyl)-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825512
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide (CID 51945143) is N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide is Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is UCXXAPXJBVRJJI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-4-2-5-20(16-17)30-19-9-7-18(8-10-19)24-23(28)26-13-11-25(12-14-26)22(27)21-6-3-15-29-21/h2,4-5,7-10,16,21H,3,6,11-15H2,1H3,(H,24,28)/t21-/m0/s1.
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide?
N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 51945143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).