N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide

C16H21N3O3 — CID 97247477

IUPACN-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCO3)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-2-4-13(5-3-12)17-16(21)19-9-7-18(8-10-19)15(20)14-6-11-22-14/h2-5,14H,6-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyXYVOIKCPAQRTJF-CQSZACIVSA-N
MW303.36 g/mol
LogP1.46
Rot. Bonds2

About N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide

N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide (PubChem CID 97247477) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
PubChem CID97247477
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCO3)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-2-4-13(5-3-12)17-16(21)19-9-7-18(8-10-19)15(20)14-6-11-22-14/h2-5,14H,6-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyXYVOIKCPAQRTJF-CQSZACIVSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-[4-(3-methylphenoxy)phenyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51945143
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
4-[(2R)-oxolane-2-carbonyl]-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]piperazine-1-carboxamide
CID 96529164
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
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-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide (CID 97247477) is N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCO3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is XYVOIKCPAQRTJF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-2-4-13(5-3-12)17-16(21)19-9-7-18(8-10-19)15(20)14-6-11-22-14/h2-5,14H,6-11H2,1H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide?
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 97247477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).